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

C14H12ClN5O — CID 134795259

IUPAC6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)nc2)nc2c1cnn2C
InChIInChI=1S/C14H12ClN5O/c1-16-14(21)9-5-11(8-3-4-12(15)17-6-8)19-13-10(9)7-18-20(13)2/h3-7H,1-2H3,(H,16,21)
InChIKeyCSDFOMIXKGQZSQ-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.04
Rot. Bonds2

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

6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134795259) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134795259
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)nc2)nc2c1cnn2C
InChIInChI=1S/C14H12ClN5O/c1-16-14(21)9-5-11(8-3-4-12(15)17-6-8)19-13-10(9)7-18-20(13)2/h3-7H,1-2H3,(H,16,21)
InChIKeyCSDFOMIXKGQZSQ-UHFFFAOYSA-N
XLogP2.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134793381
6-(6-chloro-3-pyridinyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788958
N-[(3-chlorophenyl)methyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134796049
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800795
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-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794202
6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134787979
N-cyclopentyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803305
6-(3-fluorophenyl)-N-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802464
6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802899
N-(2-ethoxyphenyl)-1-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822777
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134795259) is 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(-c2ccc(Cl)nc2)nc2c1cnn2C.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CSDFOMIXKGQZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-16-14(21)9-5-11(8-3-4-12(15)17-6-8)19-13-10(9)7-18-20(13)2/h3-7H,1-2H3,(H,16,21).
What are the key properties of 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134795259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).