N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide

C29H40ClN5O3 — CID 135335398

About N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 135335398) has the molecular formula C29H40ClN5O3 and a molecular weight of 542.12 g/mol. Its IUPAC name is N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide
• PubChem CID: 135335398
• Molecular Formula: C29H40ClN5O3
• Molecular Weight: 542.12 g/mol
• Exact Mass: 541.28
• IUPAC Name: N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide
• SMILES: COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCC(NC(=O)C(C)(C)C)CC4)cc3n2)cc1Cl
• InChI: InChI=1S/C29H40ClN5O3/c1-29(2,3)28(36)31-20-8-12-34(13-9-20)21-10-14-35-19-24(32-27(35)16-21)22-17-23(30)26(37-6)18-25(22)38-15-7-11-33(4)5/h10,14,16-20H,7-9,11-13,15H2,1-6H3,(H,31,36)
• InChIKey: GZLYXAPPZSWVTM-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 71.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.12
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 135335398) is N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide is COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCC(NC(=O)C(C)(C)C)CC4)cc3n2)cc1Cl.

What is the InChIKey of N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide?

The InChIKey is GZLYXAPPZSWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40ClN5O3/c1-29(2,3)28(36)31-20-8-12-34(13-9-20)21-10-14-35-19-24(32-27(35)16-21)22-17-23(30)26(37-6)18-25(22)38-15-7-11-33(4)5/h10,14,16-20H,7-9,11-13,15H2,1-6H3,(H,31,36).

What are the key properties of N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide?

N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 542.12 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[5-chloro-2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135335398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).