N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C16H12ClN5O — CID 78839832

IUPACN-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc12
InChIInChI=1S/C16H12ClN5O/c1-9-13-5-11(8-19-15(13)22(2)21-9)16(23)20-12-4-3-10(7-18)14(17)6-12/h3-6,8H,1-2H3,(H,20,23)
InChIKeyFSNCTYWNTBWJKR-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.05
Rot. Bonds2

About N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78839832) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78839832
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC NameN-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc12
InChIInChI=1S/C16H12ClN5O/c1-9-13-5-11(8-19-15(13)22(2)21-9)16(23)20-12-4-3-10(7-18)14(17)6-12/h3-6,8H,1-2H3,(H,20,23)
InChIKeyFSNCTYWNTBWJKR-UHFFFAOYSA-N
XLogP3.05
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78889380
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
N-[[3-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 10227066
1,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 87010918
methyl 4-chloro-3-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]benzoate
CID 78839848
N-(6-acetamido-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839281
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
1,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 43074233

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78839832) is N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc12.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is FSNCTYWNTBWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c1-9-13-5-11(8-19-15(13)22(2)21-9)16(23)20-12-4-3-10(7-18)14(17)6-12/h3-6,8H,1-2H3,(H,20,23).
What are the key properties of N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78839832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).