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

C75H78N18O9 — CID 159241559

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

N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 159241559) has the molecular formula C75H78N18O9 and a molecular weight of 1375.57 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
• PubChem CID: 159241559
• Molecular Formula: C75H78N18O9
• Molecular Weight: 1375.57 g/mol
• Exact Mass: 1374.62
• IUPAC Name: N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
• SMILES: Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CC[C@@H]2O)nc1-c1ccn(C)n1.Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cc2)co1.Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cn2)cn1
• InChI: InChI=1S/C26H28N6O2.C25H25N5O4.C24H25N7O3/c1-16-19(14-17-4-6-18(7-5-17)20-10-12-31(2)29-20)15-23(26(34)28-21-8-9-24(21)33)27-25(16)22-11-13-32(3)30-22;1-16-27-22(14-34-16)19-5-3-17(4-6-19)11-18-12-21(28-24(13-18)30-9-2-8-26-30)25(32)29-20-7-10-33-15-23(20)31;1-30-14-18(13-27-30)19-4-3-16(12-25-19)9-17-10-21(28-23(11-17)31-7-2-6-26-31)24(33)29-20-5-8-34-15-22(20)32/h4-7,10-13,15,21,24,33H,8-9,14H2,1-3H3,(H,28,34);2-6,8-9,12-14,20,23,31H,7,10-11,15H2,1H3,(H,29,32);2-4,6-7,10-14,20,22,32H,5,8-9,15H2,1H3,(H,29,33)/t21-,24-;20-,23-;20-,22-/m000/s1
• InChIKey: KUDXLBOMOMDGSD-NJZGGWKLSA-N
• XLogP: 7.27
• TPSA: 333.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1375.57
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 159241559) is N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The canonical SMILES for N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CC[C@@H]2O)nc1-c1ccn(C)n1.Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cc2)co1.Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cn2)cn1.

What is the InChIKey of N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

The InChIKey is KUDXLBOMOMDGSD-NJZGGWKLSA-N. The full InChI is InChI=1S/C26H28N6O2.C25H25N5O4.C24H25N7O3/c1-16-19(14-17-4-6-18(7-5-17)20-10-12-31(2)29-20)15-23(26(34)28-21-8-9-24(21)33)27-25(16)22-11-13-32(3)30-22;1-16-27-22(14-34-16)19-5-3-17(4-6-19)11-18-12-21(28-24(13-18)30-9-2-8-26-30)25(32)29-20-7-10-33-15-23(20)31;1-30-14-18(13-27-30)19-4-3-16(12-25-19)9-17-10-21(28-23(11-17)31-7-2-6-26-31)24(33)29-20-5-8-34-15-22(20)32/h4-7,10-13,15,21,24,33H,8-9,14H2,1-3H3,(H,28,34);2-6,8-9,12-14,20,23,31H,7,10-11,15H2,1H3,(H,29,32);2-4,6-7,10-14,20,22,32H,5,8-9,15H2,1H3,(H,29,33)/t21-,24-;20-,23-;20-,22-/m000/s1.

What are the key properties of N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?

N-[(1S,2S)-2-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 1375.57 g/mol, XLogP of 7.27, 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-hydroxycyclobutyl]-5-methyl-6-(1-methylpyrazol-3-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 159241559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).