2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide

C14H19N5O2 — CID 167937950

IUPAC2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide
SMILESCn1ncc2c(=O)[nH]c(NC(=O)CC3CCCCC3)nc21
InChIInChI=1S/C14H19N5O2/c1-19-12-10(8-15-19)13(21)18-14(17-12)16-11(20)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,16,17,18,20,21)
InChIKeyWKDXBSMKVLWXHV-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.57
Rot. Bonds3

About 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide

2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide (PubChem CID 167937950) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide
PubChem CID167937950
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide
SMILESCn1ncc2c(=O)[nH]c(NC(=O)CC3CCCCC3)nc21
InChIInChI=1S/C14H19N5O2/c1-19-12-10(8-15-19)13(21)18-14(17-12)16-11(20)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,16,17,18,20,21)
InChIKeyWKDXBSMKVLWXHV-UHFFFAOYSA-N
XLogP1.57
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
2-cyclobutyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzamide
CID 154789388
6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138042244
1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide
CID 138051307
1-tert-butyl-6-(3-cyclohexylpropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261091
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-cyclohexylacetamide
CID 79499236
2-cyclohexyl-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]acetamide
CID 136630526
1-methyl-6-[[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136580596
(2S,3S)-3-methyl-2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]pentanoic acid
CID 137098072
2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide
CID 136630541
2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 137262172
2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]hexanoic acid
CID 137061321

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide (CID 167937950) is 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide is Cn1ncc2c(=O)[nH]c(NC(=O)CC3CCCCC3)nc21.
What is the InChIKey of 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide?
The InChIKey is WKDXBSMKVLWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-19-12-10(8-15-19)13(21)18-14(17-12)16-11(20)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,16,17,18,20,21).
What are the key properties of 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide?
2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 167937950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).