7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C26H33ClN4O2 — CID 71009986

About 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71009986) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71009986
• Molecular Formula: C26H33ClN4O2
• Molecular Weight: 469.03 g/mol
• Exact Mass: 468.23
• IUPAC Name: 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(COC(C)C)CC2)cc1
• InChI: InChI=1S/C26H33ClN4O2/c1-4-23-25(31-14-11-21(27)15-24(31)29-23)26(32)28-16-19-5-7-22(8-6-19)30-12-9-20(10-13-30)17-33-18(2)3/h5-8,11,14-15,18,20H,4,9-10,12-13,16-17H2,1-3H3,(H,28,32)
• InChIKey: BEOSFPOLBFAVQL-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.03
LogP ≤ 5	5.12
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 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71009986) is 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(COC(C)C)CC2)cc1.

What is the InChIKey of 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is BEOSFPOLBFAVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O2/c1-4-23-25(31-14-11-21(27)15-24(31)29-23)26(32)28-16-19-5-7-22(8-6-19)30-12-9-20(10-13-30)17-33-18(2)3/h5-8,11,14-15,18,20H,4,9-10,12-13,16-17H2,1-3H3,(H,28,32).

What are the key properties of 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 469.03 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71009986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).