6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

C27H26Cl2N4O2 — CID 121442375

About 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 121442375) has the molecular formula C27H26Cl2N4O2 and a molecular weight of 509.44 g/mol. Its IUPAC name is 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 121442375
• Molecular Formula: C27H26Cl2N4O2
• Molecular Weight: 509.44 g/mol
• Exact Mass: 508.14
• IUPAC Name: 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1
• InChI: InChI=1S/C27H26Cl2N4O2/c1-2-24-26(33-16-20(29)7-12-25(33)31-24)27(34)30-15-18-3-8-21(9-4-18)32-14-13-23(17-32)35-22-10-5-19(28)6-11-22/h3-12,16,23H,2,13-15,17H2,1H3,(H,30,34)/t23-/m1/s1
• InChIKey: PYMZOKMZTBYCNM-HSZRJFAPSA-N
• XLogP: 5.79
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.44
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 121442375) is 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1.

What is the InChIKey of 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is PYMZOKMZTBYCNM-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H26Cl2N4O2/c1-2-24-26(33-16-20(29)7-12-25(33)31-24)27(34)30-15-18-3-8-21(9-4-18)32-14-13-23(17-32)35-22-10-5-19(28)6-11-22/h3-12,16,23H,2,13-15,17H2,1H3,(H,30,34)/t23-/m1/s1.

What are the key properties of 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 509.44 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121442375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).