8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H33N5O2 — CID 90090277

About 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090277) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90090277
• Molecular Formula: C22H33N5O2
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.26
• IUPAC Name: 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCOc1cccn2c(C(=O)N[C@H]3CCCN(C4CCN(C)CC4)C3)c(C)nc12
• InChI: InChI=1S/C22H33N5O2/c1-4-29-19-8-6-12-27-20(16(2)23-21(19)27)22(28)24-17-7-5-11-26(15-17)18-9-13-25(3)14-10-18/h6,8,12,17-18H,4-5,7,9-11,13-15H2,1-3H3,(H,24,28)/t17-/m0/s1
• InChIKey: KZUZGSODFQOZLQ-KRWDZBQOSA-N
• XLogP: 2.33
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90090277) is 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCOc1cccn2c(C(=O)N[C@H]3CCCN(C4CCN(C)CC4)C3)c(C)nc12.

What is the InChIKey of 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is KZUZGSODFQOZLQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-4-29-19-8-6-12-27-20(16(2)23-21(19)27)22(28)24-17-7-5-11-26(15-17)18-9-13-25(3)14-10-18/h6,8,12,17-18H,4-5,7,9-11,13-15H2,1-3H3,(H,24,28)/t17-/m0/s1.

What are the key properties of 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethoxy-2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).