N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C79H86N18O6 — CID 159928125

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCC[C@@H]2O)nc1-n1cccn1.Cn1cc(-c2cc(Cc3ccc(-c4ccn(C)n4)cc3)cc(C(=O)N[C@H]3CCCC[C@@H]3O)n2)cn1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1
InChIInChI=1S/C27H30N6O2.2C26H28N6O2/c1-32-12-11-22(31-32)20-9-7-18(8-10-20)13-19-14-24(21-16-28-33(2)17-21)29-25(15-19)27(35)30-23-5-3-4-6-26(23)34;1-17-20(15-18-7-9-19(10-8-18)21-11-14-31(2)30-21)16-23(28-25(17)32-13-4-12-27-32)26(34)29-22-5-3-6-24(22)33;1-31-14-11-21(30-31)20-9-7-18(8-10-20)15-19-16-23(28-25(17-19)32-13-4-12-27-32)26(34)29-22-5-2-3-6-24(22)33/h7-12,14-17,23,26,34H,3-6,13H2,1-2H3,(H,30,35);4,7-14,16,22,24,33H,3,5-6,15H2,1-2H3,(H,29,34);4,7-14,16-17,22,24,33H,2-3,5-6,15H2,1H3,(H,29,34)/t23-,26-;2*22-,24-/m000/s1
InChIKeyNZHABYQJTXUHTL-YSQIDGTQSA-N
MW1383.68 g/mol
LogP10.01
Rot. Bonds18

About N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 159928125) has the molecular formula C79H86N18O6 and a molecular weight of 1383.68 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID159928125
Molecular FormulaC79H86N18O6
Molecular Weight1383.68 g/mol
Exact Mass1382.70
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCC[C@@H]2O)nc1-n1cccn1.Cn1cc(-c2cc(Cc3ccc(-c4ccn(C)n4)cc3)cc(C(=O)N[C@H]3CCCC[C@@H]3O)n2)cn1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1
InChIInChI=1S/C27H30N6O2.2C26H28N6O2/c1-32-12-11-22(31-32)20-9-7-18(8-10-20)13-19-14-24(21-16-28-33(2)17-21)29-25(15-19)27(35)30-23-5-3-4-6-26(23)34;1-17-20(15-18-7-9-19(10-8-18)21-11-14-31(2)30-21)16-23(28-25(17)32-13-4-12-27-32)26(34)29-22-5-3-6-24(22)33;1-31-14-11-21(30-31)20-9-7-18(8-10-20)15-19-16-23(28-25(17-19)32-13-4-12-27-32)26(34)29-22-5-2-3-6-24(22)33/h7-12,14-17,23,26,34H,3-6,13H2,1-2H3,(H,30,35);4,7-14,16,22,24,33H,3,5-6,15H2,1-2H3,(H,29,34);4,7-14,16-17,22,24,33H,2-3,5-6,15H2,1H3,(H,29,34)/t23-,26-;2*22-,24-/m000/s1
InChIKeyNZHABYQJTXUHTL-YSQIDGTQSA-N
XLogP10.01
TPSA293.58 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001383.68
LogP ≤ 510.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;N-methyl-5-[7-(4-methylcyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-2-carboxamide
CID 157449389
N-(cyclohexylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3,5-difluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-fluoro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-(4-hydroxycyclohexyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(5-hydroxypentyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(6-oxo-1H-pyridin-3-yl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]acetamide
CID 159184796
N-[3-hydroxy-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide;N-[4-(methylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 87328535
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 129017508
N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 129017560
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147214082
N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147506469
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 149422306
N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 149485014
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 150598194
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 151877420
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 151902135

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 159928125) is N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCC[C@@H]2O)nc1-n1cccn1.Cn1cc(-c2cc(Cc3ccc(-c4ccn(C)n4)cc3)cc(C(=O)N[C@H]3CCCC[C@@H]3O)n2)cn1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is NZHABYQJTXUHTL-YSQIDGTQSA-N. The full InChI is InChI=1S/C27H30N6O2.2C26H28N6O2/c1-32-12-11-22(31-32)20-9-7-18(8-10-20)13-19-14-24(21-16-28-33(2)17-21)29-25(15-19)27(35)30-23-5-3-4-6-26(23)34;1-17-20(15-18-7-9-19(10-8-18)21-11-14-31(2)30-21)16-23(28-25(17)32-13-4-12-27-32)26(34)29-22-5-3-6-24(22)33;1-31-14-11-21(30-31)20-9-7-18(8-10-20)15-19-16-23(28-25(17-19)32-13-4-12-27-32)26(34)29-22-5-2-3-6-24(22)33/h7-12,14-17,23,26,34H,3-6,13H2,1-2H3,(H,30,35);4,7-14,16,22,24,33H,3,5-6,15H2,1-2H3,(H,29,34);4,7-14,16-17,22,24,33H,2-3,5-6,15H2,1H3,(H,29,34)/t23-,26-;2*22-,24-/m000/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 1383.68 g/mol, XLogP of 10.01, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 159928125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).