N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide

C20H30N4O2 — CID 71563028

IUPACN-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c21
InChIInChI=1S/C20H30N4O2/c1-3-4-9-12-24-14-17(18(25)16-13-21-23(2)20(16)24)19(26)22-15-10-7-5-6-8-11-15/h13-15H,3-12H2,1-2H3,(H,22,26)
InChIKeyMNNZEZWGQJQHEV-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.38
Rot. Bonds6

About N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide

N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71563028) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71563028
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c21
InChIInChI=1S/C20H30N4O2/c1-3-4-9-12-24-14-17(18(25)16-13-21-23(2)20(16)24)19(26)22-15-10-7-5-6-8-11-15/h13-15H,3-12H2,1-2H3,(H,22,26)
InChIKeyMNNZEZWGQJQHEV-UHFFFAOYSA-N
XLogP3.38
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-cycloheptyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680719
N-[(2R)-heptan-2-yl]-1,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 125139621
N-cycloheptyl-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680722
N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562651
7-benzyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562649
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
N-cyclohexyl-2-(2-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680879
N-cycloheptyl-2-(furan-2-yl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681349
N-cyclooctyl-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 156577123
N-cyclopentyl-7-methyl-1-(2-morpholin-4-ylethyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10091426

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71563028) is N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cnn(C)c21.
What is the InChIKey of N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is MNNZEZWGQJQHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-4-9-12-24-14-17(18(25)16-13-21-23(2)20(16)24)19(26)22-15-10-7-5-6-8-11-15/h13-15H,3-12H2,1-2H3,(H,22,26).
What are the key properties of N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71563028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).