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

C77H84N20O7 — CID 158267913

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-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]2CCOC[C@@H]2O)nc1-n1cccn1.Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cn2)cn1.Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cn2)cn1
InChIInChI=1S/C26H29N7O2.C26H28N6O3.C25H27N7O2/c1-32-10-9-21(31-32)23-12-18(11-17-7-8-20(27-14-17)19-15-28-33(2)16-19)13-24(29-23)26(35)30-22-5-3-4-6-25(22)34;1-17-20(14-18-4-6-19(7-5-18)21-8-12-31(2)30-21)15-23(28-25(17)32-11-3-10-27-32)26(34)29-22-9-13-35-16-24(22)33;1-31-9-8-20(30-31)22-11-17(12-23(28-22)25(34)29-21-4-3-5-24(21)33)10-16-6-7-19(26-13-16)18-14-27-32(2)15-18/h7-10,12-16,22,25,34H,3-6,11H2,1-2H3,(H,30,35);3-8,10-12,15,22,24,33H,9,13-14,16H2,1-2H3,(H,29,34);6-9,11-15,21,24,33H,3-5,10H2,1-2H3,(H,29,34)/t22-,25-;22-,24-;21-,24-/m000/s1
InChIKeyGIRJRCMXMNZFGH-ALYVLFQQSA-N
MW1401.65 g/mol
LogP7.86
Rot. Bonds18

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

N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 158267913) has the molecular formula C77H84N20O7 and a molecular weight of 1401.65 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-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-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID158267913
Molecular FormulaC77H84N20O7
Molecular Weight1401.65 g/mol
Exact Mass1400.68
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-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]2CCOC[C@@H]2O)nc1-n1cccn1.Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cn2)cn1.Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cn2)cn1
InChIInChI=1S/C26H29N7O2.C26H28N6O3.C25H27N7O2/c1-32-10-9-21(31-32)23-12-18(11-17-7-8-20(27-14-17)19-15-28-33(2)16-19)13-24(29-23)26(35)30-22-5-3-4-6-25(22)34;1-17-20(14-18-4-6-19(7-5-18)21-8-12-31(2)30-21)15-23(28-25(17)32-11-3-10-27-32)26(34)29-22-9-13-35-16-24(22)33;1-31-9-8-20(30-31)22-11-17(12-23(28-22)25(34)29-21-4-3-5-24(21)33)10-16-6-7-19(26-13-16)18-14-27-32(2)15-18/h7-10,12-16,22,25,34H,3-6,11H2,1-2H3,(H,30,35);3-8,10-12,15,22,24,33H,9,13-14,16H2,1-2H3,(H,29,34);6-9,11-15,21,24,33H,3-5,10H2,1-2H3,(H,29,34)/t22-,25-;22-,24-;21-,24-/m000/s1
InChIKeyGIRJRCMXMNZFGH-ALYVLFQQSA-N
XLogP7.86
TPSA328.59 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001401.65
LogP ≤ 57.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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

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Launch Full Analysis

Related Compounds

6-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[(2,5-dimethyl-4-pyridinyl)methyl]-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-[[6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 158314068
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147074423
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147332249
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147405286
N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 147506469
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 149011106
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
N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 152824706
1-[5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]propan-1-one;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157164695

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-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-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 158267913) is N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-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-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-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-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-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]2CCOC[C@@H]2O)nc1-n1cccn1.Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cn2)cn1.Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cn2)cn1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is GIRJRCMXMNZFGH-ALYVLFQQSA-N. The full InChI is InChI=1S/C26H29N7O2.C26H28N6O3.C25H27N7O2/c1-32-10-9-21(31-32)23-12-18(11-17-7-8-20(27-14-17)19-15-28-33(2)16-19)13-24(29-23)26(35)30-22-5-3-4-6-25(22)34;1-17-20(14-18-4-6-19(7-5-18)21-8-12-31(2)30-21)15-23(28-25(17)32-11-3-10-27-32)26(34)29-22-9-13-35-16-24(22)33;1-31-9-8-20(30-31)22-11-17(12-23(28-22)25(34)29-21-4-3-5-24(21)33)10-16-6-7-19(26-13-16)18-14-27-32(2)15-18/h7-10,12-16,22,25,34H,3-6,11H2,1-2H3,(H,30,35);3-8,10-12,15,22,24,33H,9,13-14,16H2,1-2H3,(H,29,34);6-9,11-15,21,24,33H,3-5,10H2,1-2H3,(H,29,34)/t22-,25-;22-,24-;21-,24-/m000/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 1401.65 g/mol, XLogP of 7.86, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-6-(1-methylpyrazol-3-yl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 158267913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).