1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H23N5O3 — CID 160971321

IUPAC1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(CC(=O)CNc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23N5O3/c1-28-16-8-6-13(7-9-16)10-15(26)11-21-20-23-18-17(19(27)24-20)12-22-25(18)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H2,21,23,24,27)
InChIKeySYHFPXHBWBLUSI-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.47
Rot. Bonds7

About 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 160971321) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID160971321
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(CC(=O)CNc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23N5O3/c1-28-16-8-6-13(7-9-16)10-15(26)11-21-20-23-18-17(19(27)24-20)12-22-25(18)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H2,21,23,24,27)
InChIKeySYHFPXHBWBLUSI-UHFFFAOYSA-N
XLogP2.47
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136969944
1-tert-butyl-6-[(4-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750
6-[[(2R)-1-(4-chloropiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166625891
1-cyclopentyl-6-[[(2R)-1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630874
1-cyclopentyl-6-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136627768
2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 137262172
4-methoxy-2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]benzonitrile
CID 135908590
1-cyclopentyl-6-[[(2R)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630559
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155539455
1-tert-butyl-6-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260732
1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137002480
1-tert-butyl-6-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261669

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 160971321) is 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(CC(=O)CNc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1.
What is the InChIKey of 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SYHFPXHBWBLUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-28-16-8-6-13(7-9-16)10-15(26)11-21-20-23-18-17(19(27)24-20)12-22-25(18)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H2,21,23,24,27).
What are the key properties of 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 381.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 160971321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).