2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide

C28H37ClN6O2 — CID 122484990

About 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide

2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide (PubChem CID 122484990) has the molecular formula C28H37ClN6O2 and a molecular weight of 525.10 g/mol. Its IUPAC name is 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide
• PubChem CID: 122484990
• Molecular Formula: C28H37ClN6O2
• Molecular Weight: 525.10 g/mol
• Exact Mass: 524.27
• IUPAC Name: 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide
• SMILES: CN1CCC(Nc2c(Cl)cnc3nc(-c4ccc(OCC(=O)NCCC5CCCCC5)cc4)[nH]c23)CC1
• InChI: InChI=1S/C28H37ClN6O2/c1-35-15-12-21(13-16-35)32-25-23(29)17-31-28-26(25)33-27(34-28)20-7-9-22(10-8-20)37-18-24(36)30-14-11-19-5-3-2-4-6-19/h7-10,17,19,21H,2-6,11-16,18H2,1H3,(H,30,36)(H2,31,32,33,34)
• InChIKey: VIMUHMVCBXLNMV-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.10
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide?

The IUPAC name of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide (CID 122484990) is 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide.

What is the SMILES notation for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide?

The canonical SMILES for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide is CN1CCC(Nc2c(Cl)cnc3nc(-c4ccc(OCC(=O)NCCC5CCCCC5)cc4)[nH]c23)CC1.

What is the InChIKey of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide?

The InChIKey is VIMUHMVCBXLNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN6O2/c1-35-15-12-21(13-16-35)32-25-23(29)17-31-28-26(25)33-27(34-28)20-7-9-22(10-8-20)37-18-24(36)30-14-11-19-5-3-2-4-6-19/h7-10,17,19,21H,2-6,11-16,18H2,1H3,(H,30,36)(H2,31,32,33,34).

What are the key properties of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide?

2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide has a molecular weight of 525.10 g/mol, XLogP of 5.25, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide is sourced from PubChem (CID 122484990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).