8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H14ClFN4O2 — CID 56725529

About 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione

8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 56725529) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 56725529
• Molecular Formula: C20H14ClFN4O2
• Molecular Weight: 396.81 g/mol
• Exact Mass: 396.08
• IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: O=c1nc2n(Cc3c(F)cccc3Cl)cccc-2c(=O)n1Cc1cccnc1
• InChI: InChI=1S/C20H14ClFN4O2/c21-16-6-1-7-17(22)15(16)12-25-9-3-5-14-18(25)24-20(28)26(19(14)27)11-13-4-2-8-23-10-13/h1-10H,11-12H2
• InChIKey: APXWCLCVQNZPDX-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 69.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.81
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 56725529) is 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is O=c1nc2n(Cc3c(F)cccc3Cl)cccc-2c(=O)n1Cc1cccnc1.

What is the InChIKey of 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is APXWCLCVQNZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-16-6-1-7-17(22)15(16)12-25-9-3-5-14-18(25)24-20(28)26(19(14)27)11-13-4-2-8-23-10-13/h1-10H,11-12H2.

What are the key properties of 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione?

8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 396.81 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56725529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).