1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H25N5O3 — CID 136969944

IUPAC1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(CNc2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C20H25N5O3/c1-27-15-9-8-13(17(10-15)28-2)11-21-20-23-18-16(19(26)24-20)12-22-25(18)14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H2,21,23,24,26)
InChIKeyDCEHDRGYHQTQHW-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.25
Rot. Bonds6

About 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969944) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969944
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(CNc2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C20H25N5O3/c1-27-15-9-8-13(17(10-15)28-2)11-21-20-23-18-16(19(26)24-20)12-22-25(18)14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H2,21,23,24,26)
InChIKeyDCEHDRGYHQTQHW-UHFFFAOYSA-N
XLogP3.25
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160971321
1-tert-butyl-6-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261669
4-methoxy-2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]benzonitrile
CID 135908590
1-tert-butyl-6-[(3,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264574
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46410868
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
6-[[(2R)-1-(4-chloropiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166625891
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686362
1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45185889
1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137002480
1-tert-butyl-6-[2-(4-methoxyphenoxy)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260867

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969944) is 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(CNc2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DCEHDRGYHQTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-27-15-9-8-13(17(10-15)28-2)11-21-20-23-18-16(19(26)24-20)12-22-25(18)14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H2,21,23,24,26).
What are the key properties of 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).