1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H19N5O — CID 137262542

IUPAC1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)c2ccccc21
InChIInChI=1S/C17H19N5O/c1-11-7-8-22(14-6-4-3-5-12(11)14)10-15-19-16-13(17(23)20-15)9-18-21(16)2/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,20,23)
InChIKeySGPORQQVUPGCAJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.17
Rot. Bonds2

About 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137262542) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137262542
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)c2ccccc21
InChIInChI=1S/C17H19N5O/c1-11-7-8-22(14-6-4-3-5-12(11)14)10-15-19-16-13(17(23)20-15)9-18-21(16)2/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,20,23)
InChIKeySGPORQQVUPGCAJ-UHFFFAOYSA-N
XLogP2.17
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965609
1-methyl-6-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048539
6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163926898
6-[[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820821
1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136731455
1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136731449
1-methyl-6-[[3-(pyridine-2-carbonyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663726
6-[[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136698036
1-methyl-6-[(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154571556
6-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-prop-2-enylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820682
1-methyl-6-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137252345
1-methyl-6-[[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136822036

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137262542) is 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)c2ccccc21.
What is the InChIKey of 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SGPORQQVUPGCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-7-8-22(14-6-4-3-5-12(11)14)10-15-19-16-13(17(23)20-15)9-18-21(16)2/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,20,23).
What are the key properties of 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137262542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).