4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide

C30H25ClFN7O2 — CID 11856226

About 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 11856226) has the molecular formula C30H25ClFN7O2 and a molecular weight of 570.03 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide
• PubChem CID: 11856226
• Molecular Formula: C30H25ClFN7O2
• Molecular Weight: 570.03 g/mol
• Exact Mass: 569.17
• IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide
• SMILES: COc1ccc(CNc2ccc3c(Nc4ccncc4C(=O)NC4CC4)nc(-c4cc(Cl)ccc4F)nc3n2)cc1
• InChI: InChI=1S/C30H25ClFN7O2/c1-41-20-7-2-17(3-8-20)15-34-26-11-9-21-27(36-25-12-13-33-16-23(25)30(40)35-19-5-6-19)38-29(39-28(21)37-26)22-14-18(31)4-10-24(22)32/h2-4,7-14,16,19H,5-6,15H2,1H3,(H,35,40)(H2,33,34,36,37,38,39)
• InChIKey: SVCMWFZTSCGPKR-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 113.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.03
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide?

The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide (CID 11856226) is 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide.

What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide?

The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide is COc1ccc(CNc2ccc3c(Nc4ccncc4C(=O)NC4CC4)nc(-c4cc(Cl)ccc4F)nc3n2)cc1.

What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide?

The InChIKey is SVCMWFZTSCGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN7O2/c1-41-20-7-2-17(3-8-20)15-34-26-11-9-21-27(36-25-12-13-33-16-23(25)30(40)35-19-5-6-19)38-29(39-28(21)37-26)22-14-18(31)4-10-24(22)32/h2-4,7-14,16,19H,5-6,15H2,1H3,(H,35,40)(H2,33,34,36,37,38,39).

What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide?

4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 570.03 g/mol, XLogP of 6.14, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(5-chloro-2-fluorophenyl)-7-[(4-methoxyphenyl)methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 11856226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).