methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide

C33H38N8O3 — CID 167560414

About methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide

methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 167560414) has the molecular formula C33H38N8O3 and a molecular weight of 594.72 g/mol. Its IUPAC name is methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 167560414
• Molecular Formula: C33H38N8O3
• Molecular Weight: 594.72 g/mol
• Exact Mass: 594.31
• IUPAC Name: methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4noc(C5(C)CC5)n4)c3[nH]2)cnn1C1CCOCC1
• InChI: InChI=1S/C32H34N8O3.CH4/c1-18-24(17-34-40(18)21-9-14-42-15-10-21)27-36-26-23(8-13-33-28(26)37-27)20-6-7-22-19(16-20)4-3-5-25(22)35-30(41)29-38-31(43-39-29)32(2)11-12-32;/h6-8,13,16-17,21,25H,3-5,9-12,14-15H2,1-2H3,(H,35,41)(H,33,36,37);1H4/t25-;/m0./s1
• InChIKey: DOTBNVWJUZCBHZ-UQIIZPHYSA-N
• XLogP: 6.03
• TPSA: 136.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.72
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide (CID 167560414) is methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide is C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4noc(C5(C)CC5)n4)c3[nH]2)cnn1C1CCOCC1.

What is the InChIKey of methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is DOTBNVWJUZCBHZ-UQIIZPHYSA-N. The full InChI is InChI=1S/C32H34N8O3.CH4/c1-18-24(17-34-40(18)21-9-14-42-15-10-21)27-36-26-23(8-13-33-28(26)37-27)20-6-7-22-19(16-20)4-3-5-25(22)35-30(41)29-38-31(43-39-29)32(2)11-12-32;/h6-8,13,16-17,21,25H,3-5,9-12,14-15H2,1-2H3,(H,35,41)(H,33,36,37);1H4/t25-;/m0./s1.

What are the key properties of methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide?

methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 594.72 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methane;5-(1-methylcyclopropyl)-N-[(1S)-6-[2-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 167560414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).