N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H36N4O4 — CID 46272624

IUPACN-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1cccc(CN2C(=O)c3cc(C4CC4)nn3CC2(C)C(=O)NC2CCCCCC2)c1OC
InChIInChI=1S/C27H36N4O4/c1-27(26(33)28-20-10-6-4-5-7-11-20)17-31-22(15-21(29-31)18-13-14-18)25(32)30(27)16-19-9-8-12-23(34-2)24(19)35-3/h8-9,12,15,18,20H,4-7,10-11,13-14,16-17H2,1-3H3,(H,28,33)
InChIKeyUCHKMNAXBSRRIC-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.03
Rot. Bonds7

About N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272624) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272624
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1cccc(CN2C(=O)c3cc(C4CC4)nn3CC2(C)C(=O)NC2CCCCCC2)c1OC
InChIInChI=1S/C27H36N4O4/c1-27(26(33)28-20-10-6-4-5-7-11-20)17-31-22(15-21(29-31)18-13-14-18)25(32)30(27)16-19-9-8-12-23(34-2)24(19)35-3/h8-9,12,15,18,20H,4-7,10-11,13-14,16-17H2,1-3H3,(H,28,33)
InChIKeyUCHKMNAXBSRRIC-UHFFFAOYSA-N
XLogP4.03
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-N-cycloheptyl-2-cyclopropyl-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738834
(6S)-5-[(2-chlorophenyl)methyl]-N-cycloheptyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738805
N-cyclooctyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522328
5-[(4-chlorophenyl)methyl]-N-cyclooctyl-2-cyclopropyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522348
(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
N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522344
(6R)-N-cyclohexyl-2-(4-methoxyphenyl)-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738954
ethyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279232
5-[(2-chlorophenyl)methyl]-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272634
ethyl 6-(cyclohexylcarbamoyl)-5-[[2-(iodomethyl)phenyl]methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 89384213
(3S)-N-cyclopentyl-2-[(2-fluorophenyl)methyl]-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739877
ethyl (6S)-6-(cyclopentylcarbamoyl)-5-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 71220160

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272624) is N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cccc(CN2C(=O)c3cc(C4CC4)nn3CC2(C)C(=O)NC2CCCCCC2)c1OC.
What is the InChIKey of N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is UCHKMNAXBSRRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-27(26(33)28-20-10-6-4-5-7-11-20)17-31-22(15-21(29-31)18-13-14-18)25(32)30(27)16-19-9-8-12-23(34-2)24(19)35-3/h8-9,12,15,18,20H,4-7,10-11,13-14,16-17H2,1-3H3,(H,28,33).
What are the key properties of N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-cyclopropyl-5-[(2,3-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).