1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H21N7O — CID 136661783

IUPAC1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(c1cc(-c2ccccc2)n[nH]1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C19H21N7O/c1-12(15-9-16(24-23-15)13-7-5-4-6-8-13)25(2)11-17-21-18-14(19(27)22-17)10-20-26(18)3/h4-10,12H,11H2,1-3H3,(H,23,24)(H,21,22,27)
InChIKeySYRIDYLFFCOATM-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.24
Rot. Bonds5

About 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136661783) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136661783
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(c1cc(-c2ccccc2)n[nH]1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C19H21N7O/c1-12(15-9-16(24-23-15)13-7-5-4-6-8-13)25(2)11-17-21-18-14(19(27)22-17)10-20-26(18)3/h4-10,12H,11H2,1-3H3,(H,23,24)(H,21,22,27)
InChIKeySYRIDYLFFCOATM-UHFFFAOYSA-N
XLogP2.24
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965557
6-[[[(1S)-1-cyclopropylethyl]-methylamino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136820584
6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163926898
1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135455617
6-[[cyclopropyl-[(1R)-1-cyclopropylethyl]amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706970
1-methyl-6-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136731449
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
(1R)-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124851771
6-[[2-ethyl-N-(1-hydroxypropan-2-yl)-6-methylanilino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167907223
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-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965609
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55838450

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136661783) is 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(c1cc(-c2ccccc2)n[nH]1)N(C)Cc1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SYRIDYLFFCOATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12(15-9-16(24-23-15)13-7-5-4-6-8-13)25(2)11-17-21-18-14(19(27)22-17)10-20-26(18)3/h4-10,12H,11H2,1-3H3,(H,23,24)(H,21,22,27).
What are the key properties of 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 363.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136661783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).