N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide

C18H15N5O — CID 134024983

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3ccnc4ccccc34)cc12
InChIInChI=1S/C18H15N5O/c1-11-15-9-12(10-20-17(15)23(2)22-11)21-18(24)14-7-8-19-16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,21,24)
InChIKeyQETFIJSAOFNARB-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.08
Rot. Bonds2

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide (PubChem CID 134024983) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide
PubChem CID134024983
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3ccnc4ccccc34)cc12
InChIInChI=1S/C18H15N5O/c1-11-15-9-12(10-20-17(15)23(2)22-11)21-18(24)14-7-8-19-16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,21,24)
InChIKeyQETFIJSAOFNARB-UHFFFAOYSA-N
XLogP3.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4,5-difluorobenzamide
CID 51334457
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
CID 31520358
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55515849
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24626387
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide (CID 134024983) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide is Cc1nn(C)c2ncc(NC(=O)c3ccnc4ccccc34)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide?
The InChIKey is QETFIJSAOFNARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-15-9-12(10-20-17(15)23(2)22-11)21-18(24)14-7-8-19-16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 134024983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).