5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid

C174H127ClF20N40O36S8 — CID 159427558

IUPAC5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)O)s3)n3nccc3n2)ccc1F.O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(OC(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(OC(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1cccc(OC(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1
InChIInChI=1S/C22H15F4N5O5S.C22H15F4N5O4S.2C22H16F3N5O5S.C22H17F2N5O5S.C22H18FN5O4S.C21H15ClFN5O4S.C21H15F2N5O4S/c23-13-3-1-11(7-16(13)36-22(24,25)26)9-27-19(32)14-8-15(31-18(30-14)5-6-29-31)20(33)28-10-12-2-4-17(37-12)21(34)35;23-14-3-1-11(7-13(14)22(24,25)26)9-27-19(32)15-8-16(31-18(30-15)5-6-29-31)20(33)28-10-12-2-4-17(36-12)21(34)35;23-13-3-1-11(7-16(13)35-22(24)25)9-26-19(31)14-8-15(30-18(29-14)5-6-28-30)20(32)27-10-12-2-4-17(36-12)21(33)34;23-22(24,25)35-13-3-1-2-12(8-13)10-26-19(31)15-9-16(30-18(29-15)6-7-28-30)20(32)27-11-14-4-5-17(36-14)21(33)34;23-22(24)34-13-3-1-2-12(8-13)10-25-19(30)15-9-16(29-18(28-15)6-7-27-29)20(31)26-11-14-4-5-17(35-14)21(32)33;1-12-8-13(2-4-15(12)23)10-24-20(29)16-9-17(28-19(27-16)6-7-26-28)21(30)25-11-14-3-5-18(33-14)22(31)32;22-13-7-11(1-3-14(13)23)9-24-19(29)15-8-16(28-18(27-15)5-6-26-28)20(30)25-10-12-2-4-17(33-12)21(31)32;22-13-3-1-11(7-14(13)23)9-24-19(29)15-8-16(28-18(27-15)5-6-26-28)20(30)25-10-12-2-4-17(33-12)21(31)32/h1-8H,9-10H2,(H,27,32)(H,28,33)(H,34,35);1-8H,9-10H2,(H,27,32)(H,28,33)(H,34,35);1-8,22H,9-10H2,(H,26,31)(H,27,32)(H,33,34);1-9H,10-11H2,(H,26,31)(H,27,32)(H,33,34);1-9,22H,10-11H2,(H,25,30)(H,26,31)(H,32,33);2-9H,10-11H2,1H3,(H,24,29)(H,25,30)(H,31,32);2*1-8H,9-10H2,(H,24,29)(H,25,30)(H,31,32)
InChIKeyLQOFHWXELOEBHR-UHFFFAOYSA-N
MW4026.12 g/mol
LogP24.75
Rot. Bonds62

About 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid

5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid (PubChem CID 159427558) has the molecular formula C174H127ClF20N40O36S8 and a molecular weight of 4026.12 g/mol. Its IUPAC name is 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid
PubChem CID159427558
Molecular FormulaC174H127ClF20N40O36S8
Molecular Weight4026.12 g/mol
Exact Mass4022.65
IUPAC Name5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid
SMILESCc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)O)s3)n3nccc3n2)ccc1F.O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(OC(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(OC(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1cccc(OC(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1
InChIInChI=1S/C22H15F4N5O5S.C22H15F4N5O4S.2C22H16F3N5O5S.C22H17F2N5O5S.C22H18FN5O4S.C21H15ClFN5O4S.C21H15F2N5O4S/c23-13-3-1-11(7-16(13)36-22(24,25)26)9-27-19(32)14-8-15(31-18(30-14)5-6-29-31)20(33)28-10-12-2-4-17(37-12)21(34)35;23-14-3-1-11(7-13(14)22(24,25)26)9-27-19(32)15-8-16(31-18(30-15)5-6-29-31)20(33)28-10-12-2-4-17(36-12)21(34)35;23-13-3-1-11(7-16(13)35-22(24)25)9-26-19(31)14-8-15(30-18(29-14)5-6-28-30)20(32)27-10-12-2-4-17(36-12)21(33)34;23-22(24,25)35-13-3-1-2-12(8-13)10-26-19(31)15-9-16(30-18(29-15)6-7-28-30)20(32)27-11-14-4-5-17(36-14)21(33)34;23-22(24)34-13-3-1-2-12(8-13)10-25-19(30)15-9-16(29-18(28-15)6-7-27-29)20(31)26-11-14-4-5-17(35-14)21(32)33;1-12-8-13(2-4-15(12)23)10-24-20(29)16-9-17(28-19(27-16)6-7-26-28)21(30)25-11-14-3-5-18(33-14)22(31)32;22-13-7-11(1-3-14(13)23)9-24-19(29)15-8-16(28-18(27-15)5-6-26-28)20(30)25-10-12-2-4-17(33-12)21(31)32;22-13-3-1-11(7-14(13)23)9-24-19(29)15-8-16(28-18(27-15)5-6-26-28)20(30)25-10-12-2-4-17(33-12)21(31)32/h1-8H,9-10H2,(H,27,32)(H,28,33)(H,34,35);1-8H,9-10H2,(H,27,32)(H,28,33)(H,34,35);1-8,22H,9-10H2,(H,26,31)(H,27,32)(H,33,34);1-9H,10-11H2,(H,26,31)(H,27,32)(H,33,34);1-9,22H,10-11H2,(H,25,30)(H,26,31)(H,32,33);2-9H,10-11H2,1H3,(H,24,29)(H,25,30)(H,31,32);2*1-8H,9-10H2,(H,24,29)(H,25,30)(H,31,32)
InChIKeyLQOFHWXELOEBHR-UHFFFAOYSA-N
XLogP24.75
TPSA1042.44 Ų
H-Bond Donors24
H-Bond Acceptors60
Rotatable Bonds62
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004026.12
LogP ≤ 524.75
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1060

Analyze 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid (CID 159427558) is 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid is Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)O)s3)n3nccc3n2)ccc1F.O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(Cl)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(OC(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1ccc(F)c(OC(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1cccc(OC(F)(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.O=C(NCc1cccc(OC(F)F)c1)c1cc(C(=O)NCc2ccc(C(=O)O)s2)n2nccc2n1.
What is the InChIKey of 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is LQOFHWXELOEBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O5S.C22H15F4N5O4S.2C22H16F3N5O5S.C22H17F2N5O5S.C22H18FN5O4S.C21H15ClFN5O4S.C21H15F2N5O4S/c23-13-3-1-11(7-16(13)36-22(24,25)26)9-27-19(32)14-8-15(31-18(30-14)5-6-29-31)20(33)28-10-12-2-4-17(37-12)21(34)35;23-14-3-1-11(7-13(14)22(24,25)26)9-27-19(32)15-8-16(31-18(30-15)5-6-29-31)20(33)28-10-12-2-4-17(36-12)21(34)35;23-13-3-1-11(7-16(13)35-22(24)25)9-26-19(31)14-8-15(30-18(29-14)5-6-28-30)20(32)27-10-12-2-4-17(36-12)21(33)34;23-22(24,25)35-13-3-1-2-12(8-13)10-26-19(31)15-9-16(30-18(29-15)6-7-28-30)20(32)27-11-14-4-5-17(36-14)21(33)34;23-22(24)34-13-3-1-2-12(8-13)10-25-19(30)15-9-16(29-18(28-15)6-7-27-29)20(31)26-11-14-4-5-17(35-14)21(32)33;1-12-8-13(2-4-15(12)23)10-24-20(29)16-9-17(28-19(27-16)6-7-26-28)21(30)25-11-14-3-5-18(33-14)22(31)32;22-13-7-11(1-3-14(13)23)9-24-19(29)15-8-16(28-18(27-15)5-6-26-28)20(30)25-10-12-2-4-17(33-12)21(31)32;22-13-3-1-11(7-14(13)23)9-24-19(29)15-8-16(28-18(27-15)5-6-26-28)20(30)25-10-12-2-4-17(33-12)21(31)32/h1-8H,9-10H2,(H,27,32)(H,28,33)(H,34,35);1-8H,9-10H2,(H,27,32)(H,28,33)(H,34,35);1-8,22H,9-10H2,(H,26,31)(H,27,32)(H,33,34);1-9H,10-11H2,(H,26,31)(H,27,32)(H,33,34);1-9,22H,10-11H2,(H,25,30)(H,26,31)(H,32,33);2-9H,10-11H2,1H3,(H,24,29)(H,25,30)(H,31,32);2*1-8H,9-10H2,(H,24,29)(H,25,30)(H,31,32).
What are the key properties of 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid?
5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 4026.12 g/mol, XLogP of 24.75, 62 rotatable bonds, 24 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-[(3-chloro-4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid;5-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 159427558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).