6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine

C27H37ClFN7O — CID 134177149

About 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine

6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 134177149) has the molecular formula C27H37ClFN7O and a molecular weight of 530.09 g/mol. Its IUPAC name is 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 134177149
• Molecular Formula: C27H37ClFN7O
• Molecular Weight: 530.09 g/mol
• Exact Mass: 529.27
• IUPAC Name: 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
• SMILES: COCCN1CCN(c2ccc(-c3nc4ncc(Cl)c(NC5CCN(C(C)C)CC5)c4[nH]3)c(F)c2)CC1
• InChI: InChI=1S/C27H37ClFN7O/c1-18(2)35-8-6-19(7-9-35)31-24-22(28)17-30-27-25(24)32-26(33-27)21-5-4-20(16-23(21)29)36-12-10-34(11-13-36)14-15-37-3/h4-5,16-19H,6-15H2,1-3H3,(H2,30,31,32,33)
• InChIKey: BXFYXRCOVANGBE-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 72.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.09
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 134177149) is 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine is COCCN1CCN(c2ccc(-c3nc4ncc(Cl)c(NC5CCN(C(C)C)CC5)c4[nH]3)c(F)c2)CC1.

What is the InChIKey of 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine?

The InChIKey is BXFYXRCOVANGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClFN7O/c1-18(2)35-8-6-19(7-9-35)31-24-22(28)17-30-27-25(24)32-26(33-27)21-5-4-20(16-23(21)29)36-12-10-34(11-13-36)14-15-37-3/h4-5,16-19H,6-15H2,1-3H3,(H2,30,31,32,33).

What are the key properties of 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine?

6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 530.09 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134177149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).