6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H16ClN5O — CID 136969901

IUPAC6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1ncc2c(=O)[nH]c(NCc3ccccc3Cl)nc21
InChIInChI=1S/C15H16ClN5O/c1-9(2)21-13-11(8-18-21)14(22)20-15(19-13)17-7-10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H2,17,19,20,22)
InChIKeyREUNZJOGTFLBJN-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.97
Rot. Bonds4

About 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969901) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969901
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1ncc2c(=O)[nH]c(NCc3ccccc3Cl)nc21
InChIInChI=1S/C15H16ClN5O/c1-9(2)21-13-11(8-18-21)14(22)20-15(19-13)17-7-10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H2,17,19,20,22)
InChIKeyREUNZJOGTFLBJN-UHFFFAOYSA-N
XLogP2.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-{[(1r)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 136969934
1-tert-butyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-5-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 154699442
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135567004
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
1-tert-butyl-5-(3-chlorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 16193594
N-[(2-chlorophenyl)methyl]-1-ethylpyrazole-4-carboxamide
CID 1225824
N-[3-(4-chlorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136030601
N-[3-(4-chlorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136030602
N-[3-(3-chlorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059347
1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135455617

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969901) is 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)n1ncc2c(=O)[nH]c(NCc3ccccc3Cl)nc21.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is REUNZJOGTFLBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-9(2)21-13-11(8-18-21)14(22)20-15(19-13)17-7-10-5-3-4-6-12(10)16/h3-6,8-9H,7H2,1-2H3,(H2,17,19,20,22).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 317.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).