2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one

C27H22N4O — CID 18375225

IUPAC2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccccc1C(c1ccccc1)n1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C27H22N4O/c1-19-10-8-9-15-23(19)25(20-11-4-2-5-12-20)31-24(32)17-16-21-18-28-27(30-26(21)31)29-22-13-6-3-7-14-22/h2-18,25H,1H3,(H,28,29,30)
InChIKeyGGYYNJLLXWAMHZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.48
Rot. Bonds5

About 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375225) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375225
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccccc1C(c1ccccc1)n1c(=O)ccc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C27H22N4O/c1-19-10-8-9-15-23(19)25(20-11-4-2-5-12-20)31-24(32)17-16-21-18-28-27(30-26(21)31)29-22-13-6-3-7-14-22/h2-18,25H,1H3,(H,28,29,30)
InChIKeyGGYYNJLLXWAMHZ-UHFFFAOYSA-N
XLogP5.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one (CID 18375225) is 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one is Cc1ccccc1C(c1ccccc1)n1c(=O)ccc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GGYYNJLLXWAMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-19-10-8-9-15-23(19)25(20-11-4-2-5-12-20)31-24(32)17-16-21-18-28-27(30-26(21)31)29-22-13-6-3-7-14-22/h2-18,25H,1H3,(H,28,29,30).
What are the key properties of 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 418.50 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).