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

C20H20N6O2 — CID 18375039

IUPAC8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCC(C)n1c(=O)ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc21
InChIInChI=1S/C20H20N6O2/c1-14(13-28-2)26-18(27)9-4-15-12-21-20(24-19(15)26)23-16-5-7-17(8-6-16)25-11-3-10-22-25/h3-12,14H,13H2,1-2H3,(H,21,23,24)
InChIKeyQZMNQAFVSZPATD-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.93
Rot. Bonds6

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

8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375039) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375039
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCC(C)n1c(=O)ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc21
InChIInChI=1S/C20H20N6O2/c1-14(13-28-2)26-18(27)9-4-15-12-21-20(24-19(15)26)23-16-5-7-17(8-6-16)25-11-3-10-22-25/h3-12,14H,13H2,1-2H3,(H,21,23,24)
InChIKeyQZMNQAFVSZPATD-UHFFFAOYSA-N
XLogP2.93
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375336
8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375257
8-(1-phenylprop-2-ynyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375109
8-oct-1-yn-3-yl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374805
8-[(3,5-dimethoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375244
8-cyclopentyl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375032
8-(2-methylcyclohexyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375231
8-(cyclohexylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374998
8-[(3-ethyloxetan-3-yl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374873
8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375307
8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374915
8-(oxolan-2-ylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374814

Frequently Asked Questions

What is the IUPAC name of 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18375039) is 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is COCC(C)n1c(=O)ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc21.
What is the InChIKey of 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QZMNQAFVSZPATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-14(13-28-2)26-18(27)9-4-15-12-21-20(24-19(15)26)23-16-5-7-17(8-6-16)25-11-3-10-22-25/h3-12,14H,13H2,1-2H3,(H,21,23,24).
What are the key properties of 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 376.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).