5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide

C51H48F6N14O9S2 — CID 175430509

IUPAC5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide
SMILESCC(Oc1cc(-c2[nH]nc(Nc3cnn(C4CCOCC4)c3)c2C(N)=O)ccc1NS(=O)(=O)C(F)F)c1ccc(F)cc1.NC(=O)c1c(Nc2cnccn2)n[nH]c1-c1ccc(NS(=O)(=O)C(F)F)c(OC2(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C27H28F3N7O5S.C24H20F3N7O4S/c1-15(16-2-5-18(28)6-3-16)42-22-12-17(4-7-21(22)36-43(39,40)27(29)30)24-23(25(31)38)26(35-34-24)33-19-13-32-37(14-19)20-8-10-41-11-9-20;25-15-4-2-14(3-5-15)24(7-8-24)38-17-11-13(1-6-16(17)34-39(36,37)23(26)27)20-19(21(28)35)22(33-32-20)31-18-12-29-9-10-30-18/h2-7,12-15,20,27,36H,8-11H2,1H3,(H2,31,38)(H2,33,34,35);1-6,9-12,23,34H,7-8H2,(H2,28,35)(H2,30,31,32,33)
InChIKeyVGMDIALGJMHLFJ-UHFFFAOYSA-N
MW1179.16 g/mol
LogP8.59
Rot. Bonds21

About 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide

5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide (PubChem CID 175430509) has the molecular formula C51H48F6N14O9S2 and a molecular weight of 1179.16 g/mol. Its IUPAC name is 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide
PubChem CID175430509
Molecular FormulaC51H48F6N14O9S2
Molecular Weight1179.16 g/mol
Exact Mass1178.31
IUPAC Name5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide
SMILESCC(Oc1cc(-c2[nH]nc(Nc3cnn(C4CCOCC4)c3)c2C(N)=O)ccc1NS(=O)(=O)C(F)F)c1ccc(F)cc1.NC(=O)c1c(Nc2cnccn2)n[nH]c1-c1ccc(NS(=O)(=O)C(F)F)c(OC2(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C27H28F3N7O5S.C24H20F3N7O4S/c1-15(16-2-5-18(28)6-3-16)42-22-12-17(4-7-21(22)36-43(39,40)27(29)30)24-23(25(31)38)26(35-34-24)33-19-13-32-37(14-19)20-8-10-41-11-9-20;25-15-4-2-14(3-5-15)24(7-8-24)38-17-11-13(1-6-16(17)34-39(36,37)23(26)27)20-19(21(28)35)22(33-32-20)31-18-12-29-9-10-30-18/h2-7,12-15,20,27,36H,8-11H2,1H3,(H2,31,38)(H2,33,34,35);1-6,9-12,23,34H,7-8H2,(H2,28,35)(H2,30,31,32,33)
InChIKeyVGMDIALGJMHLFJ-UHFFFAOYSA-N
XLogP8.59
TPSA331.23 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001179.16
LogP ≤ 58.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

5-[3-[(1S)-1-(4-chlorophenyl)ethoxy]-4-(difluoromethylsulfonylamino)phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166905178
5-[4-(difluoromethylsulfonylamino)-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166905103
3-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-5-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 166905099
5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 170053022
5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-3-[[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]amino]-1H-pyrazole-4-carboxamide
CID 175430526
3-[(5-cyclopropylpyrazin-2-yl)amino]-5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 175430511
5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide
CID 166905181
3-[[5-(1-adamantyl)-1,2-oxazol-3-yl]amino]-5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 175430553
5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-1H-pyrazole-4-carboxamide
CID 175430517
N-[4-[4-amino-1-methyl-7-[1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[4,5-c]pyridin-3-yl]-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175682966
5-[4-(ethylsulfonylamino)-2-[(4-fluorophenyl)methoxy]phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166904985
N-[4-[4-amino-7-[1-[3-(dimethylamino)cyclopentyl]pyrazol-4-yl]-1-methylpyrazolo[4,5-c]pyridin-3-yl]-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175683022

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide (CID 175430509) is 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide is CC(Oc1cc(-c2[nH]nc(Nc3cnn(C4CCOCC4)c3)c2C(N)=O)ccc1NS(=O)(=O)C(F)F)c1ccc(F)cc1.NC(=O)c1c(Nc2cnccn2)n[nH]c1-c1ccc(NS(=O)(=O)C(F)F)c(OC2(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide?
The InChIKey is VGMDIALGJMHLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O5S.C24H20F3N7O4S/c1-15(16-2-5-18(28)6-3-16)42-22-12-17(4-7-21(22)36-43(39,40)27(29)30)24-23(25(31)38)26(35-34-24)33-19-13-32-37(14-19)20-8-10-41-11-9-20;25-15-4-2-14(3-5-15)24(7-8-24)38-17-11-13(1-6-16(17)34-39(36,37)23(26)27)20-19(21(28)35)22(33-32-20)31-18-12-29-9-10-30-18/h2-7,12-15,20,27,36H,8-11H2,1H3,(H2,31,38)(H2,33,34,35);1-6,9-12,23,34H,7-8H2,(H2,28,35)(H2,30,31,32,33).
What are the key properties of 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide?
5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide has a molecular weight of 1179.16 g/mol, XLogP of 8.59, 21 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 175430509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).