N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H17ClN4O — CID 134794202

IUPACN-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3cccc(Cl)c3)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H17ClN4O/c1-26-20-18(13-24-26)17(11-19(25-20)15-7-3-2-4-8-15)21(27)23-12-14-6-5-9-16(22)10-14/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyKEIQFSJSTOOFLR-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.22
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134794202) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134794202
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3cccc(Cl)c3)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H17ClN4O/c1-26-20-18(13-24-26)17(11-19(25-20)15-7-3-2-4-8-15)21(27)23-12-14-6-5-9-16(22)10-14/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyKEIQFSJSTOOFLR-UHFFFAOYSA-N
XLogP4.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
N-[(3,4-difluorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803310
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495564
N-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803462
N-[(4-fluorophenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800095
N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797275
N-[2-(4-chlorophenyl)ethyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134799362
6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134787979
6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788958
6-(3-fluorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803326
CID 134794690
CID 134794690

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134794202) is N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3cccc(Cl)c3)cc(-c3ccccc3)nc21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KEIQFSJSTOOFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-26-20-18(13-24-26)17(11-19(25-20)15-7-3-2-4-8-15)21(27)23-12-14-6-5-9-16(22)10-14/h2-11,13H,12H2,1H3,(H,23,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134794202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).