4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one

C30H42ClN7O2 — CID 134177324

About 4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one

4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one (PubChem CID 134177324) has the molecular formula C30H42ClN7O2 and a molecular weight of 568.17 g/mol. Its IUPAC name is 4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one.

Molecular Properties

• Compound Name: 4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one
• PubChem CID: 134177324
• Molecular Formula: C30H42ClN7O2
• Molecular Weight: 568.17 g/mol
• Exact Mass: 567.31
• IUPAC Name: 4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one
• SMILES: CCOCCN1CCN(c2ccc(-c3nc4ncc(Cl)c(NC5CC(C)(C)N(C)C(C)(C)C5)c4[nH]3)cc2)CC1=O
• InChI: InChI=1S/C30H42ClN7O2/c1-7-40-15-14-37-12-13-38(19-24(37)39)22-10-8-20(9-11-22)27-34-26-25(23(31)18-32-28(26)35-27)33-21-16-29(2,3)36(6)30(4,5)17-21/h8-11,18,21H,7,12-17,19H2,1-6H3,(H2,32,33,34,35)
• InChIKey: DCLOMRKLJBCLFV-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 89.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.17
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one (CID 134177324) is 4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one.

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

The canonical SMILES for 4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one is CCOCCN1CCN(c2ccc(-c3nc4ncc(Cl)c(NC5CC(C)(C)N(C)C(C)(C)C5)c4[nH]3)cc2)CC1=O.

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

The InChIKey is DCLOMRKLJBCLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42ClN7O2/c1-7-40-15-14-37-12-13-38(19-24(37)39)22-10-8-20(9-11-22)27-34-26-25(23(31)18-32-28(26)35-27)33-21-16-29(2,3)36(6)30(4,5)17-21/h8-11,18,21H,7,12-17,19H2,1-6H3,(H2,32,33,34,35).

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

4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one has a molecular weight of 568.17 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-chloro-7-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(2-ethoxyethyl)piperazin-2-one is sourced from PubChem (CID 134177324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).