N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C17H13Cl2N5O — CID 134802321

IUPACN-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(CC#N)C(=O)c1cc(-c2cc(Cl)cc(Cl)c2)nc2c1cnn2C
InChIInChI=1S/C17H13Cl2N5O/c1-23(4-3-20)17(25)13-8-15(10-5-11(18)7-12(19)6-10)22-16-14(13)9-21-24(16)2/h5-9H,4H2,1-2H3
InChIKeyURYAGEPMDGGJJG-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.54
Rot. Bonds3

About N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802321) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802321
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC NameN-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCN(CC#N)C(=O)c1cc(-c2cc(Cl)cc(Cl)c2)nc2c1cnn2C
InChIInChI=1S/C17H13Cl2N5O/c1-23(4-3-20)17(25)13-8-15(10-5-11(18)7-12(19)6-10)22-16-14(13)9-21-24(16)2/h5-9H,4H2,1-2H3
InChIKeyURYAGEPMDGGJJG-UHFFFAOYSA-N
XLogP3.54
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3,5-dichlorophenyl)-N,1-dimethyl-N-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803296
6-(2,4-dichlorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134790626
N-[2-(4-chlorophenyl)ethyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134799362
N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
N-[(3-chlorophenyl)methyl]-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
6-(3-methoxyphenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803311
6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802899
6-(2-fluorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801674
6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134795259
6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788958
6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134792404
[6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 134795215

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802321) is N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CN(CC#N)C(=O)c1cc(-c2cc(Cl)cc(Cl)c2)nc2c1cnn2C.
What is the InChIKey of N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is URYAGEPMDGGJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c1-23(4-3-20)17(25)13-8-15(10-5-11(18)7-12(19)6-10)22-16-14(13)9-21-24(16)2/h5-9H,4H2,1-2H3.
What are the key properties of N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-6-(3,5-dichlorophenyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).