1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide

C20H27N7O2 — CID 67261357

IUPAC1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCCC1C(=O)N(C)c2cnc(-n3ccc(C(=O)N(C)C)n3)nc2N1C1CCCC1
InChIInChI=1S/C20H27N7O2/c1-5-15-19(29)25(4)16-12-21-20(22-17(16)27(15)13-8-6-7-9-13)26-11-10-14(23-26)18(28)24(2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyBNPZLDQNFSNAAA-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.87
Rot. Bonds4

About 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 67261357) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID67261357
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCCC1C(=O)N(C)c2cnc(-n3ccc(C(=O)N(C)C)n3)nc2N1C1CCCC1
InChIInChI=1S/C20H27N7O2/c1-5-15-19(29)25(4)16-12-21-20(22-17(16)27(15)13-8-6-7-9-13)26-11-10-14(23-26)18(28)24(2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyBNPZLDQNFSNAAA-UHFFFAOYSA-N
XLogP1.87
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461
8-cyclopentyl-7-ethyl-5-methyl-2-(2-pyrazol-1-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67260508
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405723
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(2-oxo-1-pyridinyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405488
8-cyclobutyl-7-ethyl-5-methyl-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67372003
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylanilino)-7H-pteridin-6-one
CID 171081916
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1-oxidopyridin-1-ium-4-yl)-7H-pteridin-6-one
CID 67253084
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one
CID 58405599
8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one
CID 67254335
N-cyclohexyl-4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]benzamide
CID 163503299
methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate
CID 77446170
(7R)-2-[1-[1-(2-aminoacetyl)piperidin-4-yl]ethylamino]-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
CID 67016774

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 67261357) is 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide is CCC1C(=O)N(C)c2cnc(-n3ccc(C(=O)N(C)C)n3)nc2N1C1CCCC1.
What is the InChIKey of 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is BNPZLDQNFSNAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-5-15-19(29)25(4)16-12-21-20(22-17(16)27(15)13-8-6-7-9-13)26-11-10-14(23-26)18(28)24(2)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 67261357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).