2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one

C19H17N5O2 — CID 136929843

IUPAC2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCC(c1ccccc1)n1cc(Oc2nc3cnccc3c(=O)[nH]2)cn1
InChIInChI=1S/C19H17N5O2/c1-2-17(13-6-4-3-5-7-13)24-12-14(10-21-24)26-19-22-16-11-20-9-8-15(16)18(25)23-19/h3-12,17H,2H2,1H3,(H,22,23,25)
InChIKeySSCMIYYHLKPOOD-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.31
Rot. Bonds5

About 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one

2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136929843) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136929843
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCC(c1ccccc1)n1cc(Oc2nc3cnccc3c(=O)[nH]2)cn1
InChIInChI=1S/C19H17N5O2/c1-2-17(13-6-4-3-5-7-13)24-12-14(10-21-24)26-19-22-16-11-20-9-8-15(16)18(25)23-19/h3-12,17H,2H2,1H3,(H,22,23,25)
InChIKeySSCMIYYHLKPOOD-UHFFFAOYSA-N
XLogP3.31
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-[(2R)-butan-2-yl]-N-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002372
2-[4-(N-ethyl-4-propan-2-ylanilino)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002302
2-[1-[(3S)-1-ethylsulfonylpiperidin-3-yl]pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136959882
2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002388
2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953399
2-[4-[4-(difluoromethoxy)-N-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953214
(3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]pyrazol-1-yl]pyrrolidine-1-carboxylic acid
CID 136644269
2-[1-[(3S)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136959976
2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002268
2-[4-(N-methyl-4-propylanilino)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002339
2-[4-(N-methyl-4-propoxyanilino)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 166924385
2-[4-[4-(1-methoxyethyl)-N-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002387

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136929843) is 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one is CCC(c1ccccc1)n1cc(Oc2nc3cnccc3c(=O)[nH]2)cn1.
What is the InChIKey of 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SSCMIYYHLKPOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-17(13-6-4-3-5-7-13)24-12-14(10-21-24)26-19-22-16-11-20-9-8-15(16)18(25)23-19/h3-12,17H,2H2,1H3,(H,22,23,25).
What are the key properties of 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 347.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylpropyl)pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136929843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).