8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C23H17N5O — CID 70133381

IUPAC8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)c3cc[nH]c3)nc2n1-c1ccccc1
InChIInChI=1S/C23H17N5O/c29-21-12-11-17-15-25-23(26-22(17)28(21)19-9-5-2-6-10-19)27(20-13-14-24-16-20)18-7-3-1-4-8-18/h1-16,24H
InChIKeyFDUCJIKZKWVIOW-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.58
Rot. Bonds4

About 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 70133381) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID70133381
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(N(c3ccccc3)c3cc[nH]c3)nc2n1-c1ccccc1
InChIInChI=1S/C23H17N5O/c29-21-12-11-17-15-25-23(26-22(17)28(21)19-9-5-2-6-10-19)27(20-13-14-24-16-20)18-7-3-1-4-8-18/h1-16,24H
InChIKeyFDUCJIKZKWVIOW-UHFFFAOYSA-N
XLogP4.58
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-methylcyclohexyl)-2-[N-(1H-pyrazol-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 67553457
N,N-diphenyl-1H-pyrrol-3-amine;1H-pyrrole
CID 161076953
8-phenyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 69378325
2-[(4-methoxyphenyl)methylamino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 69378637
8-(3-methoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112222
8-(3-phenylmethoxypropyl)-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70112450
8-[2-(4-methoxyphenyl)ethyl]-2-(N-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70346791
N-methyl-N-[3-(2-oxo-9-phenylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide
CID 118346196
11-[benzyl(methyl)amino]-8-phenyl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90408006
ethane;N-methyl-N-[3-(2-oxo-9-phenylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide
CID 160722009
2-ethoxy-6-hydroxy-3-phenylpyrimidin-4-one
CID 137194939
2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one
CID 3233184

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 70133381) is 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(N(c3ccccc3)c3cc[nH]c3)nc2n1-c1ccccc1.
What is the InChIKey of 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FDUCJIKZKWVIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c29-21-12-11-17-15-25-23(26-22(17)28(21)19-9-5-2-6-10-19)27(20-13-14-24-16-20)18-7-3-1-4-8-18/h1-16,24H.
What are the key properties of 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 379.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-[N-(1H-pyrrol-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70133381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).