2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one

C21H16F3N5O — CID 59789333

IUPAC2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESNCCNc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C21H16F3N5O/c22-12-5-6-13(16(24)11-12)19-14-7-8-18(30)29(17-4-2-1-3-15(17)23)20(14)28-21(27-19)26-10-9-25/h1-8,11H,9-10,25H2,(H,26,27,28)
InChIKeyDEQJKYJBKWBVES-UHFFFAOYSA-N
MW411.39 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one

2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59789333) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59789333
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESNCCNc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C21H16F3N5O/c22-12-5-6-13(16(24)11-12)19-14-7-8-18(30)29(17-4-2-1-3-15(17)23)20(14)28-21(27-19)26-10-9-25/h1-8,11H,9-10,25H2,(H,26,27,28)
InChIKeyDEQJKYJBKWBVES-UHFFFAOYSA-N
XLogP3.24
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one (CID 59789333) is 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one is NCCNc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1.
What is the InChIKey of 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DEQJKYJBKWBVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c22-12-5-6-13(16(24)11-12)19-14-7-8-18(30)29(17-4-2-1-3-15(17)23)20(14)28-21(27-19)26-10-9-25/h1-8,11H,9-10,25H2,(H,26,27,28).
What are the key properties of 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 411.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59789333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).