1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide

C13H15N5O2 — CID 138051307

IUPAC1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide
SMILESCn1ncc2c(=O)[nH]c(NC(=O)C3(C)C=CCC3)nc21
InChIInChI=1S/C13H15N5O2/c1-13(5-3-4-6-13)11(20)17-12-15-9-8(10(19)16-12)7-14-18(9)2/h3,5,7H,4,6H2,1-2H3,(H2,15,16,17,19,20)
InChIKeyFWTDAHJMMPXQSR-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.95
Rot. Bonds2

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

1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 138051307) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide
PubChem CID138051307
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide
SMILESCn1ncc2c(=O)[nH]c(NC(=O)C3(C)C=CCC3)nc21
InChIInChI=1S/C13H15N5O2/c1-13(5-3-4-6-13)11(20)17-12-15-9-8(10(19)16-12)7-14-18(9)2/h3,5,7H,4,6H2,1-2H3,(H2,15,16,17,19,20)
InChIKeyFWTDAHJMMPXQSR-UHFFFAOYSA-N
XLogP0.95
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopent-2-en-1-ylmethyl)-1-pentan-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135410309
1-tert-butyl-6-(cyclopent-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136277295
6-[(3R,4S)-3-(dimethylamino)-4-(1,4-dimethylcyclohexa-2,4-dien-1-yl)pyrrolidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 177960478
(5-amino-1-methylpyrazol-4-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 104599423
1-tert-butyl-6-(cyclohex-2-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136277285
6-[1-(cyclopentene-1-carbonyl)-8-oxo-1,4,7-triazecan-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136570766
1-tert-butyl-6-[[(1R)-cyclohex-2-en-1-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706868
1-tert-butyl-6-[[(1S)-cyclohex-2-en-1-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136706869
1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137190960
6-tert-butyl-2-[(1-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}pyrrolidin-2-yl)methyl]-2,3-dihydropyridazin-3-one
CID 137224863
1-tert-butyl-6-(cyclohex-3-en-1-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261471
1-tert-butyl-6-(cyclohex-3-en-1-ylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275475

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide (CID 138051307) is 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide is Cn1ncc2c(=O)[nH]c(NC(=O)C3(C)C=CCC3)nc21.
What is the InChIKey of 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FWTDAHJMMPXQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-13(5-3-4-6-13)11(20)17-12-15-9-8(10(19)16-12)7-14-18(9)2/h3,5,7H,4,6H2,1-2H3,(H2,15,16,17,19,20).
What are the key properties of 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide?
1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 138051307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).