1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone

C26H34ClN7O — CID 134177207

About 1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone

1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 134177207) has the molecular formula C26H34ClN7O and a molecular weight of 496.06 g/mol. Its IUPAC name is 1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
• PubChem CID: 134177207
• Molecular Formula: C26H34ClN7O
• Molecular Weight: 496.06 g/mol
• Exact Mass: 495.25
• IUPAC Name: 1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2ccc(-c3nc4ncc(Cl)c(NC5CCN(C(C)C)CC5)c4[nH]3)cc2)CC1
• InChI: InChI=1S/C26H34ClN7O/c1-17(2)32-10-8-20(9-11-32)29-23-22(27)16-28-26-24(23)30-25(31-26)19-4-6-21(7-5-19)34-14-12-33(13-15-34)18(3)35/h4-7,16-17,20H,8-15H2,1-3H3,(H2,28,29,30,31)
• InChIKey: YHECLTPFNUMPFY-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 80.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.06
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone (CID 134177207) is 1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone.

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

The canonical SMILES for 1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(-c3nc4ncc(Cl)c(NC5CCN(C(C)C)CC5)c4[nH]3)cc2)CC1.

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

The InChIKey is YHECLTPFNUMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN7O/c1-17(2)32-10-8-20(9-11-32)29-23-22(27)16-28-26-24(23)30-25(31-26)19-4-6-21(7-5-19)34-14-12-33(13-15-34)18(3)35/h4-7,16-17,20H,8-15H2,1-3H3,(H2,28,29,30,31).

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

1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 496.06 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134177207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).