N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

C22H25FN4O2 — CID 20944219

IUPACN-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)NC2CCCCC2)c2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C22H25FN4O2/c1-14-11-20(29)26(13-19(28)24-17-8-4-3-5-9-17)22-21(14)15(2)25-27(22)18-10-6-7-16(23)12-18/h6-7,10-12,17H,3-5,8-9,13H2,1-2H3,(H,24,28)
InChIKeySJALMJWAVIELEO-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.39
Rot. Bonds4

About N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 20944219) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID20944219
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)NC2CCCCC2)c2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C22H25FN4O2/c1-14-11-20(29)26(13-19(28)24-17-8-4-3-5-9-17)22-21(14)15(2)25-27(22)18-10-6-7-16(23)12-18/h6-7,10-12,17H,3-5,8-9,13H2,1-2H3,(H,24,28)
InChIKeySJALMJWAVIELEO-UHFFFAOYSA-N
XLogP3.39
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944208
N-benzyl-2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 46339050
N-cyclohexyl-3-[1-(3-fluorophenyl)-6-methoxy-3,4-dimethylpyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 50796244
2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 46339049
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate
CID 46351039
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114581619
N-cyclohexyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768332
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944128
7-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one
CID 20951727

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 20944219) is N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is Cc1cc(=O)n(CC(=O)NC2CCCCC2)c2c1c(C)nn2-c1cccc(F)c1.
What is the InChIKey of N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is SJALMJWAVIELEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-14-11-20(29)26(13-19(28)24-17-8-4-3-5-9-17)22-21(14)15(2)25-27(22)18-10-6-7-16(23)12-18/h6-7,10-12,17H,3-5,8-9,13H2,1-2H3,(H,24,28).
What are the key properties of N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 20944219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).