5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H18N4O2 — CID 167972124

IUPAC5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOC1Cc2ccccc2N(Cc2cc(=O)n3[nH]ccc3n2)C1
InChIInChI=1S/C17H18N4O2/c1-23-14-8-12-4-2-3-5-15(12)20(11-14)10-13-9-17(22)21-16(19-13)6-7-18-21/h2-7,9,14,18H,8,10-11H2,1H3
InChIKeyPCOXUFKSNRMCHA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.60
Rot. Bonds3

About 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 167972124) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID167972124
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOC1Cc2ccccc2N(Cc2cc(=O)n3[nH]ccc3n2)C1
InChIInChI=1S/C17H18N4O2/c1-23-14-8-12-4-2-3-5-15(12)20(11-14)10-13-9-17(22)21-16(19-13)6-7-18-21/h2-7,9,14,18H,8,10-11H2,1H3
InChIKeyPCOXUFKSNRMCHA-UHFFFAOYSA-N
XLogP1.60
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 120760812
5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98775409
5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 21035728
1-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-2-amine
CID 120849370
5-[(6-fluoro-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 131961703
3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
CID 120849365
(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline
CID 125141740
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 42956025
5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172672766
5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95762037
5-[[benzyl-[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98186788
5-[2-[(1S,2S)-2-quinolin-2-ylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66836896

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 167972124) is 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is COC1Cc2ccccc2N(Cc2cc(=O)n3[nH]ccc3n2)C1.
What is the InChIKey of 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PCOXUFKSNRMCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-14-8-12-4-2-3-5-15(12)20(11-14)10-13-9-17(22)21-16(19-13)6-7-18-21/h2-7,9,14,18H,8,10-11H2,1H3.
What are the key properties of 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 310.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 167972124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).