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

C76H80N18O6 — CID 158836044

IUPACN-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cc2)n1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1
InChIInChI=1S/C27H30N6O2.C25H26N6O2.C24H24N6O2/c1-32-13-11-21(30-32)20-9-7-18(8-10-20)15-19-16-24(22-12-14-33(2)31-22)28-25(17-19)27(35)29-23-5-3-4-6-26(23)34;1-30-13-10-20(29-30)19-8-6-17(7-9-19)14-18-15-22(25(33)28-21-4-2-5-23(21)32)27-24(16-18)31-12-3-11-26-31;1-29-12-9-19(28-29)18-5-3-16(4-6-18)13-17-14-21(24(32)27-20-7-8-22(20)31)26-23(15-17)30-11-2-10-25-30/h7-14,16-17,23,26,34H,3-6,15H2,1-2H3,(H,29,35);3,6-13,15-16,21,23,32H,2,4-5,14H2,1H3,(H,28,33);2-6,9-12,14-15,20,22,31H,7-8,13H2,1H3,(H,27,32)/t23-,26-;21-,23-;20-,22-/m000/s1
InChIKeyIXQOKZNWOFTCTE-YBFPWNPKSA-N
MW1341.60 g/mol
LogP8.92
Rot. Bonds18

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

N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 158836044) has the molecular formula C76H80N18O6 and a molecular weight of 1341.60 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID158836044
Molecular FormulaC76H80N18O6
Molecular Weight1341.60 g/mol
Exact Mass1340.65
IUPAC NameN-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cc2)n1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1
InChIInChI=1S/C27H30N6O2.C25H26N6O2.C24H24N6O2/c1-32-13-11-21(30-32)20-9-7-18(8-10-20)15-19-16-24(22-12-14-33(2)31-22)28-25(17-19)27(35)29-23-5-3-4-6-26(23)34;1-30-13-10-20(29-30)19-8-6-17(7-9-19)14-18-15-22(25(33)28-21-4-2-5-23(21)32)27-24(16-18)31-12-3-11-26-31;1-29-12-9-19(28-29)18-5-3-16(4-6-18)13-17-14-21(24(32)27-20-7-8-22(20)31)26-23(15-17)30-11-2-10-25-30/h7-14,16-17,23,26,34H,3-6,15H2,1-2H3,(H,29,35);3,6-13,15-16,21,23,32H,2,4-5,14H2,1H3,(H,28,33);2-6,9-12,14-15,20,22,31H,7-8,13H2,1H3,(H,27,32)/t23-,26-;21-,23-;20-,22-/m000/s1
InChIKeyIXQOKZNWOFTCTE-YBFPWNPKSA-N
XLogP8.92
TPSA293.58 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001341.60
LogP ≤ 58.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-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-[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-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-hydroxycyclobutyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 148449594
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
N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 152824706

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 158836044) is N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)nc(-c4ccn(C)n4)c3)cc2)n1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1.Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@H]4CC[C@@H]4O)nc(-n4cccn4)c3)cc2)n1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is IXQOKZNWOFTCTE-YBFPWNPKSA-N. The full InChI is InChI=1S/C27H30N6O2.C25H26N6O2.C24H24N6O2/c1-32-13-11-21(30-32)20-9-7-18(8-10-20)15-19-16-24(22-12-14-33(2)31-22)28-25(17-19)27(35)29-23-5-3-4-6-26(23)34;1-30-13-10-20(29-30)19-8-6-17(7-9-19)14-18-15-22(25(33)28-21-4-2-5-23(21)32)27-24(16-18)31-12-3-11-26-31;1-29-12-9-19(28-29)18-5-3-16(4-6-18)13-17-14-21(24(32)27-20-7-8-22(20)31)26-23(15-17)30-11-2-10-25-30/h7-14,16-17,23,26,34H,3-6,15H2,1-2H3,(H,29,35);3,6-13,15-16,21,23,32H,2,4-5,14H2,1H3,(H,28,33);2-6,9-12,14-15,20,22,31H,7-8,13H2,1H3,(H,27,32)/t23-,26-;21-,23-;20-,22-/m000/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 1341.60 g/mol, XLogP of 8.92, 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-hydroxycyclobutyl]-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-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 158836044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).