2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one

C26H20N4O — CID 18374988

IUPAC2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N4O/c31-23-17-16-21-18-27-26(28-22-14-8-3-9-15-22)29-25(21)30(23)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,24H,(H,27,28,29)
InChIKeyNAVFTSNHPBSYLO-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.17
Rot. Bonds5

About 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374988) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one
PubChem CID18374988
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N4O/c31-23-17-16-21-18-27-26(28-22-14-8-3-9-15-22)29-25(21)30(23)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,24H,(H,27,28,29)
InChIKeyNAVFTSNHPBSYLO-UHFFFAOYSA-N
XLogP5.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-8-[(2-methylphenyl)-phenylmethyl]pyrido[2,3-d]pyrimidin-7-one
CID 18375225
8-benzhydryl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374944
2-anilino-8-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 18374843
8-[bis(4-fluorophenyl)methyl]-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375050
8-(1,1-diphenylpropan-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18375264
8-(1-phenylprop-2-ynyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375109
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375257
2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374901
8-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 163196400
2-anilino-8-(2-naphthalen-2-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 18375323
2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374839

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one (CID 18374988) is 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NAVFTSNHPBSYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c31-23-17-16-21-18-27-26(28-22-14-8-3-9-15-22)29-25(21)30(23)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18,24H,(H,27,28,29).
What are the key properties of 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 404.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-benzhydrylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).