6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H27N5O — CID 135965633

IUPAC6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN3CCCC3CC3CCCCC3)nc21
InChIInChI=1S/C18H27N5O/c1-22-17-15(11-19-22)18(24)21-16(20-17)12-23-9-5-8-14(23)10-13-6-3-2-4-7-13/h11,13-14H,2-10,12H2,1H3,(H,20,21,24)
InChIKeyRFJFLPVGDUMIMZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.59
Rot. Bonds4

About 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135965633) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135965633
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN3CCCC3CC3CCCCC3)nc21
InChIInChI=1S/C18H27N5O/c1-22-17-15(11-19-22)18(24)21-16(20-17)12-23-9-5-8-14(23)10-13-6-3-2-4-7-13/h11,13-14H,2-10,12H2,1H3,(H,20,21,24)
InChIKeyRFJFLPVGDUMIMZ-UHFFFAOYSA-N
XLogP2.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135965633) is 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(CN3CCCC3CC3CCCCC3)nc21.
What is the InChIKey of 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RFJFLPVGDUMIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-22-17-15(11-19-22)18(24)21-16(20-17)12-23-9-5-8-14(23)10-13-6-3-2-4-7-13/h11,13-14H,2-10,12H2,1H3,(H,20,21,24).
What are the key properties of 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 329.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135965633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).