6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H28ClN5O — CID 135193991

About 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 135193991) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 135193991
• Molecular Formula: C27H28ClN5O
• Molecular Weight: 474.01 g/mol
• Exact Mass: 473.20
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccccn3)CC2)cc1
• InChI: InChI=1S/C27H28ClN5O/c1-2-23-26(33-18-21(28)8-11-25(33)31-23)27(34)30-17-19-6-9-22(10-7-19)32-15-12-20(13-16-32)24-5-3-4-14-29-24/h3-11,14,18,20H,2,12-13,15-17H2,1H3,(H,30,34)
• InChIKey: LORAWELJKQOIRP-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.01
LogP ≤ 5	5.26
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-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 135193991) is 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccccn3)CC2)cc1.

What is the InChIKey of 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is LORAWELJKQOIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O/c1-2-23-26(33-18-21(28)8-11-25(33)31-23)27(34)30-17-19-6-9-22(10-7-19)32-15-12-20(13-16-32)24-5-3-4-14-29-24/h3-11,14,18,20H,2,12-13,15-17H2,1H3,(H,30,34).

What are the key properties of 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 474.01 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[4-(4-pyridin-2-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 135193991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).