1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate

C75H85F5N22O8 — CID 157293724

IUPAC1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate
SMILESCCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(NC(=O)C5CC5)n4)C(F)C3)c(F)c2)n1.CCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(NC(=O)OC)n4)C(F)C3)c(F)c2)n1.COC(=O)Nc1nn(C2(CC#N)CCC(N3CC(F)(c4ccccc4)C3)CC2)cc1C(N)=O
InChIInChI=1S/C27H30F2N8O2.C25H28F2N8O3.C23H27FN6O3/c1-2-36-11-7-22(33-36)18-5-6-19(21(28)13-18)14-35-12-9-27(8-10-30,23(29)16-35)37-15-20(24(31)38)25(34-37)32-26(39)17-3-4-17;1-3-34-10-6-20(31-34)16-4-5-17(19(26)12-16)13-33-11-8-25(7-9-28,21(27)15-33)35-14-18(22(29)36)23(32-35)30-24(37)38-2;1-33-21(32)27-20-18(19(26)31)13-30(28-20)22(11-12-25)9-7-17(8-10-22)29-14-23(24,15-29)16-5-3-2-4-6-16/h5-7,11,13,15,17,23H,2-4,8-9,12,14,16H2,1H3,(H2,31,38)(H,32,34,39);4-6,10,12,14,21H,3,7-8,11,13,15H2,1-2H3,(H2,29,36)(H,30,32,37);2-6,13,17H,7-11,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyBBCDEJJDFORQLS-UHFFFAOYSA-N
MW1517.64 g/mol
LogP9.13
Rot. Bonds23

About 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate

1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate (PubChem CID 157293724) has the molecular formula C75H85F5N22O8 and a molecular weight of 1517.64 g/mol. Its IUPAC name is 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate
PubChem CID157293724
Molecular FormulaC75H85F5N22O8
Molecular Weight1517.64 g/mol
Exact Mass1516.68
IUPAC Name1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate
SMILESCCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(NC(=O)C5CC5)n4)C(F)C3)c(F)c2)n1.CCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(NC(=O)OC)n4)C(F)C3)c(F)c2)n1.COC(=O)Nc1nn(C2(CC#N)CCC(N3CC(F)(c4ccccc4)C3)CC2)cc1C(N)=O
InChIInChI=1S/C27H30F2N8O2.C25H28F2N8O3.C23H27FN6O3/c1-2-36-11-7-22(33-36)18-5-6-19(21(28)13-18)14-35-12-9-27(8-10-30,23(29)16-35)37-15-20(24(31)38)25(34-37)32-26(39)17-3-4-17;1-3-34-10-6-20(31-34)16-4-5-17(19(26)12-16)13-33-11-8-25(7-9-28,21(27)15-33)35-14-18(22(29)36)23(32-35)30-24(37)38-2;1-33-21(32)27-20-18(19(26)31)13-30(28-20)22(11-12-25)9-7-17(8-10-22)29-14-23(24,15-29)16-5-3-2-4-6-16/h5-7,11,13,15,17,23H,2-4,8-9,12,14,16H2,1H3,(H2,31,38)(H,32,34,39);4-6,10,12,14,21H,3,7-8,11,13,15H2,1-2H3,(H2,29,36)(H,30,32,37);2-6,13,17H,7-11,14-15H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyBBCDEJJDFORQLS-UHFFFAOYSA-N
XLogP9.13
TPSA405.22 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001517.64
LogP ≤ 59.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate with MolForge

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Related Compounds

1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-3-yl]carbamate
CID 157333302
1-[4-(Benzhydrylamino)-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-[benzyl(2-phenylethyl)amino]-1-(cyanomethyl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[(2-phenylphenyl)methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[3-(2,2,2-trifluoroethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 159410035
Bis(3-(cyclopropanecarbonylamino)-1-[4-[ethyl(methyl)amino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide
CID 160007465
1-[1-(Cyanomethyl)-4-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[4-[ethyl(methyl)amino]-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide
CID 160838483
1-[1-(cyanomethyl)-4-[3-ethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[7-(cyanomethyl)-2-oxaspiro[3.5]nonan-7-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(1-[1-(cyanomethyl)-4-[3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide);methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-3-yl]carbamate
CID 161578561
3-(Cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(3-isocyanophenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide);bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(propylamino)cyclohexyl]pyrazole-4-carboxamide)
CID 157364881
Bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(3-isocyanophenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-[(4-phenylphenyl)methylamino]cyclohexyl]pyrazole-4-carboxamide;bis(3-(cyclopropanecarbonylamino)-1-[1-(isocyanomethyl)-4-(propylamino)cyclohexyl]pyrazole-4-carboxamide)
CID 158341082
1-[(3R,4S)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3S,4S)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3R,4R)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3S,4R)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methane
CID 159049659
1-[(3R,4S)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3S,4S)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3R,4R)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[(3S,4R)-4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 160861496
Bis(3-(cyclopropanecarbonylamino)-1-[4-(3-fluoroazetidin-1-yl)-1-(isocyanomethyl)cyclohexyl]pyrazole-4-carboxamide);3-(cyclopropanecarbonylamino)-1-[1-[(2-fluorophenyl)methyl]-4-(isocyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-cyclopropylethyl 4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(isocyanomethyl)piperidine-1-carboxylate
CID 161876591

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate?
The IUPAC name of 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate (CID 157293724) is 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate.
What is the SMILES notation for 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate?
The canonical SMILES for 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate is CCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(NC(=O)C5CC5)n4)C(F)C3)c(F)c2)n1.CCn1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(NC(=O)OC)n4)C(F)C3)c(F)c2)n1.COC(=O)Nc1nn(C2(CC#N)CCC(N3CC(F)(c4ccccc4)C3)CC2)cc1C(N)=O.
What is the InChIKey of 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate?
The InChIKey is BBCDEJJDFORQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N8O2.C25H28F2N8O3.C23H27FN6O3/c1-2-36-11-7-22(33-36)18-5-6-19(21(28)13-18)14-35-12-9-27(8-10-30,23(29)16-35)37-15-20(24(31)38)25(34-37)32-26(39)17-3-4-17;1-3-34-10-6-20(31-34)16-4-5-17(19(26)12-16)13-33-11-8-25(7-9-28,21(27)15-33)35-14-18(22(29)36)23(32-35)30-24(37)38-2;1-33-21(32)27-20-18(19(26)31)13-30(28-20)22(11-12-25)9-7-17(8-10-22)29-14-23(24,15-29)16-5-3-2-4-6-16/h5-7,11,13,15,17,23H,2-4,8-9,12,14,16H2,1H3,(H2,31,38)(H,32,34,39);4-6,10,12,14,21H,3,7-8,11,13,15H2,1-2H3,(H2,29,36)(H,30,32,37);2-6,13,17H,7-11,14-15H2,1H3,(H2,26,31)(H,27,28,32).
What are the key properties of 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate?
1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate has a molecular weight of 1517.64 g/mol, XLogP of 9.13, 23 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)-2-fluorophenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]pyrazol-3-yl]carbamate is sourced from PubChem (CID 157293724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).