6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H26N6O — CID 137267419

IUPAC6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)CC1(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCCC1
InChIInChI=1S/C20H26N6O/c1-25(2)14-20(10-6-7-11-20)13-21-19-23-17-16(18(27)24-19)12-22-26(17)15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11,13-14H2,1-2H3,(H2,21,23,24,27)
InChIKeyAJKZRZIFKRLQNG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.64
Rot. Bonds6

About 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137267419) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137267419
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)CC1(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCCC1
InChIInChI=1S/C20H26N6O/c1-25(2)14-20(10-6-7-11-20)13-21-19-23-17-16(18(27)24-19)12-22-26(17)15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11,13-14H2,1-2H3,(H2,21,23,24,27)
InChIKeyAJKZRZIFKRLQNG-UHFFFAOYSA-N
XLogP2.64
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
1-phenyl-6-[(2-piperidin-1-ylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137262155
N,N-dimethyl-4-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzamide
CID 137272700
1-phenyl-6-(pyridin-2-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528257
2-[[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-3H-quinazolin-4-one
CID 167886339
6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274759
6-[2-(2,3-dihydro-1H-inden-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275947
6-[(2-cyclohexyl-2-hydroxyethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528482
6-[2-[4-(hydroxymethyl)phenyl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273758
6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137271118
6-[[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136817035

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137267419) is 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN(C)CC1(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCCC1.
What is the InChIKey of 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AJKZRZIFKRLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-25(2)14-20(10-6-7-11-20)13-21-19-23-17-16(18(27)24-19)12-22-26(17)15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11,13-14H2,1-2H3,(H2,21,23,24,27).
What are the key properties of 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 366.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137267419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).