3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide

C25H18ClN5O3 — CID 121027340

About 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide

3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 121027340) has the molecular formula C25H18ClN5O3 and a molecular weight of 471.90 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide
• PubChem CID: 121027340
• Molecular Formula: C25H18ClN5O3
• Molecular Weight: 471.90 g/mol
• Exact Mass: 471.11
• IUPAC Name: 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide
• SMILES: O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O
• InChI: InChI=1S/C25H18ClN5O3/c26-19-11-5-4-10-17(19)15-31-24(33)18(14-27-25(31)34)23(32)29-22-21(16-8-2-1-3-9-16)28-20-12-6-7-13-30(20)22/h1-14H,15H2,(H,27,34)(H,29,32)
• InChIKey: QJBOFODEFIVEOX-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 101.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.90
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide?

The IUPAC name of 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide (CID 121027340) is 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide is O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O.

What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide?

The InChIKey is QJBOFODEFIVEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O3/c26-19-11-5-4-10-17(19)15-31-24(33)18(14-27-25(31)34)23(32)29-22-21(16-8-2-1-3-9-16)28-20-12-6-7-13-30(20)22/h1-14H,15H2,(H,27,34)(H,29,32).

What are the key properties of 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide?

3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 471.90 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).