6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H29ClN6O3 — CID 154573942

About 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 154573942) has the molecular formula C27H29ClN6O3 and a molecular weight of 521.02 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 154573942
• Molecular Formula: C27H29ClN6O3
• Molecular Weight: 521.02 g/mol
• Exact Mass: 520.20
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(n3cc(C)c(=O)[nH]c3=O)CC2)cc1
• InChI: InChI=1S/C27H29ClN6O3/c1-3-22-24(34-16-19(28)6-9-23(34)30-22)26(36)29-14-18-4-7-20(8-5-18)32-12-10-21(11-13-32)33-15-17(2)25(35)31-27(33)37/h4-9,15-16,21H,3,10-14H2,1-2H3,(H,29,36)(H,31,35,37)
• InChIKey: FXBYHKZKOADXDT-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 104.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.02
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 154573942) is 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(n3cc(C)c(=O)[nH]c3=O)CC2)cc1.

What is the InChIKey of 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is FXBYHKZKOADXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O3/c1-3-22-24(34-16-19(28)6-9-23(34)30-22)26(36)29-14-18-4-7-20(8-5-18)32-12-10-21(11-13-32)33-15-17(2)25(35)31-27(33)37/h4-9,15-16,21H,3,10-14H2,1-2H3,(H,29,36)(H,31,35,37).

What are the key properties of 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 521.02 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[4-[4-(5-methyl-2,4-dioxopyrimidin-1-yl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 154573942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).