N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H33FN6O3 — CID 20919478

IUPACN-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCN1C(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H33FN6O3/c1-3-32-24(35)22-16-21(29-33(22)17-26(32,2)25(36)28-19-6-4-5-7-19)23(34)31-14-12-30(13-15-31)20-10-8-18(27)9-11-20/h8-11,16,19H,3-7,12-15,17H2,1-2H3,(H,28,36)
InChIKeyQKGWNRPRCBADQK-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.28
Rot. Bonds5

About N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 20919478) has the molecular formula C26H33FN6O3 and a molecular weight of 496.59 g/mol. Its IUPAC name is N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID20919478
Molecular FormulaC26H33FN6O3
Molecular Weight496.59 g/mol
Exact Mass496.26
IUPAC NameN-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCN1C(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H33FN6O3/c1-3-32-24(35)22-16-21(29-33(22)17-26(32,2)25(36)28-19-6-4-5-7-19)23(34)31-14-12-30(13-15-31)20-10-8-18(27)9-11-20/h8-11,16,19H,3-7,12-15,17H2,1-2H3,(H,28,36)
InChIKeyQKGWNRPRCBADQK-UHFFFAOYSA-N
XLogP2.28
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92744295
2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46279078
(6R)-N-cyclohexyl-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743473
(6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92744401
ethyl 6-(cyclooctylcarbamoyl)-5-(4-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 20919516
(6S)-N-cyclopentyl-5,6-dimethyl-2-(4-methylpiperidine-1-carbonyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92743269
(6R)-6-N-cyclopentyl-5-ethyl-2-N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744289
(6S)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92886878
(6R)-N-cyclohexyl-2-(4-cyclohexylpiperazine-1-carbonyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92886879
(6R)-2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744327
2-N,6-N-dicyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279096
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522330

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 20919478) is N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCN1C(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nn2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is QKGWNRPRCBADQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O3/c1-3-32-24(35)22-16-21(29-33(22)17-26(32,2)25(36)28-19-6-4-5-7-19)23(34)31-14-12-30(13-15-31)20-10-8-18(27)9-11-20/h8-11,16,19H,3-7,12-15,17H2,1-2H3,(H,28,36).
What are the key properties of N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 20919478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).