4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide

C16H17ClN4O — CID 135583857

IUPAC4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2ccccc2Cl)c2cn[nH]c2N1
InChIInChI=1S/C16H17ClN4O/c1-9-13(16(22)21(2)3)14(10-6-4-5-7-12(10)17)11-8-18-20-15(11)19-9/h4-8,14H,1-3H3,(H2,18,19,20)
InChIKeyINBRRVHCWCAMNC-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.98
Rot. Bonds2

About 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide

4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 135583857) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID135583857
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2ccccc2Cl)c2cn[nH]c2N1
InChIInChI=1S/C16H17ClN4O/c1-9-13(16(22)21(2)3)14(10-6-4-5-7-12(10)17)11-8-18-20-15(11)19-9/h4-8,14H,1-3H3,(H2,18,19,20)
InChIKeyINBRRVHCWCAMNC-UHFFFAOYSA-N
XLogP2.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

ethyl 4-(2-chlorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584151
methyl 4-(2-chlorophenyl)-6-(methoxymethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584067
tert-butyl 4-(2-fluorophenyl)-6-methyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 142663567
ethyl 6-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135583959
ethyl 4-(2,3-dichlorophenyl)-6-propyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135583783
(4S)-4-(2-chlorophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902621
4-(2-chlorophenyl)-6-(dimethoxymethyl)-5-isocyano-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 135617493
1-[5-acetyl-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
CID 163827025
1,2-dichlorobenzene;1,1-dimethylurea
CID 161139113
4-(2-chlorophenyl)-5-isocyano-6-(4-methoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine
CID 135617475
4-(2-chlorophenyl)-6-(1-methylpiperidin-4-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135584162
(4S)-5-acetyl-4-(2-chlorophenyl)-6-methyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile
CID 1388320

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 135583857) is 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide is CC1=C(C(=O)N(C)C)C(c2ccccc2Cl)c2cn[nH]c2N1.
What is the InChIKey of 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is INBRRVHCWCAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-9-13(16(22)21(2)3)14(10-6-4-5-7-12(10)17)11-8-18-20-15(11)19-9/h4-8,14H,1-3H3,(H2,18,19,20).
What are the key properties of 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N,N,6-trimethyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135583857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).