3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide

C31H39N7O2 — CID 146437182

About 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide

3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide (PubChem CID 146437182) has the molecular formula C31H39N7O2 and a molecular weight of 541.70 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
• PubChem CID: 146437182
• Molecular Formula: C31H39N7O2
• Molecular Weight: 541.70 g/mol
• Exact Mass: 541.32
• IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide
• SMILES: Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cnn1C(C)C
• InChI: InChI=1S/C31H39N7O2/c1-18(2)38-19(3)25(15-33-38)28-35-27-24(12-13-32-29(27)36-28)21-10-11-23-20(14-21)8-7-9-26(23)34-30(39)37-16-22(17-37)40-31(4,5)6/h10-15,18,22,26H,7-9,16-17H2,1-6H3,(H,34,39)(H,32,35,36)
• InChIKey: HFIDQGGMGBUXNH-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 100.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.70
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide?

The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide (CID 146437182) is 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide.

What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide?

The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide is Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)N4CC(OC(C)(C)C)C4)c3[nH]2)cnn1C(C)C.

What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide?

The InChIKey is HFIDQGGMGBUXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O2/c1-18(2)38-19(3)25(15-33-38)28-35-27-24(12-13-32-29(27)36-28)21-10-11-23-20(14-21)8-7-9-26(23)34-30(39)37-16-22(17-37)40-31(4,5)6/h10-15,18,22,26H,7-9,16-17H2,1-6H3,(H,34,39)(H,32,35,36).

What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide?

3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide has a molecular weight of 541.70 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-methylpropan-2-yl)oxy]-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 146437182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).