8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C29H22N6O2 — CID 18375307

IUPAC8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C29H22N6O2/c36-27-15-10-22-19-30-29(32-23-11-13-24(14-12-23)35-17-5-16-31-35)33-28(22)34(27)20-21-6-4-9-26(18-21)37-25-7-2-1-3-8-25/h1-19H,20H2,(H,30,32,33)
InChIKeyMNPNMJOGKSBKLP-UHFFFAOYSA-N
MW486.54 g/mol
LogP5.56
Rot. Bonds7

About 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375307) has the molecular formula C29H22N6O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375307
Molecular FormulaC29H22N6O2
Molecular Weight486.54 g/mol
Exact Mass486.18
IUPAC Name8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C29H22N6O2/c36-27-15-10-22-19-30-29(32-23-11-13-24(14-12-23)35-17-5-16-31-35)33-28(22)34(27)20-21-6-4-9-26(18-21)37-25-7-2-1-3-8-25/h1-19H,20H2,(H,30,32,33)
InChIKeyMNPNMJOGKSBKLP-UHFFFAOYSA-N
XLogP5.56
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-Tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-3-(4-quinazolin-6-yloxyphenyl)urea
CID 134294498
(Z)-3-[3-(3-Benzyloxy-phenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-yl-propyl)-acrylamide
CID 7010816
2-Anilino-8-[(3-methoxyphenyl)methyl]-6-methylpteridin-7-one
CID 3233442
2-Anilino-8-[(3-methoxyphenyl)methyl]pteridin-7-one
CID 3234788
N-(3-methoxybenzyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
CID 3235932
3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 44532681
1-(2-benzyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-(4-methoxyphenyl)urea
CID 46238068
4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
CID 168276456
N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide
CID 168281964
1-(4-Fluorophenyl)-3-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]urea
CID 168282482
2-anilino-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 90680997
1-[(3R)-3-[[6-amino-5-(5-phenoxyindazol-1-yl)pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 132071567

Frequently Asked Questions

What is the IUPAC name of 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18375307) is 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc2n1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MNPNMJOGKSBKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O2/c36-27-15-10-22-19-30-29(32-23-11-13-24(14-12-23)35-17-5-16-31-35)33-28(22)34(27)20-21-6-4-9-26(18-21)37-25-7-2-1-3-8-25/h1-19H,20H2,(H,30,32,33).
What are the key properties of 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 486.54 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).