N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H29N5O3 — CID 71172110

IUPACN-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C25H29N5O3/c1-25(24(32)27-19-9-4-2-3-5-10-19)17-30-21(14-20(28-30)22-11-7-13-33-22)23(31)29(25)16-18-8-6-12-26-15-18/h6-8,11-15,19H,2-5,9-10,16-17H2,1H3,(H,27,32)
InChIKeyGLRFSLPTIPSVEX-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.79
Rot. Bonds5

About N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 71172110) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID71172110
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C25H29N5O3/c1-25(24(32)27-19-9-4-2-3-5-10-19)17-30-21(14-20(28-30)22-11-7-13-33-22)23(31)29(25)16-18-8-6-12-26-15-18/h6-8,11-15,19H,2-5,9-10,16-17H2,1H3,(H,27,32)
InChIKeyGLRFSLPTIPSVEX-UHFFFAOYSA-N
XLogP3.79
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-(furan-2-yl)-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272565
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522202
N-cycloheptyl-5-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272587
(3S)-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741008
N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274286
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(thiophen-2-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272581
(6S)-5-[2-(4-chlorophenyl)ethyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738655
(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738686
5-cyclohexyl-N-cyclooctyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522207
N-cycloheptyl-5-(3-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272579
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(2-phenylpropyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272580
(6R)-N-cycloheptyl-5-(4-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738658

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 71172110) is N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NC2CCCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1cccnc1.
What is the InChIKey of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is GLRFSLPTIPSVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-25(24(32)27-19-9-4-2-3-5-10-19)17-30-21(14-20(28-30)22-11-7-13-33-22)23(31)29(25)16-18-8-6-12-26-15-18/h6-8,11-15,19H,2-5,9-10,16-17H2,1H3,(H,27,32).
What are the key properties of N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-5-(pyridin-3-ylmethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 71172110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).