N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C18H19N5O3S — CID 86843305

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cc12
InChIInChI=1S/C18H19N5O3S/c1-11-15-9-14(10-19-17(15)22-21-11)20-18(24)13-5-6-16-12(8-13)4-3-7-23(16)27(2,25)26/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyDNQRSWKVSLPVBM-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.23
Rot. Bonds3

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 86843305) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID86843305
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cc12
InChIInChI=1S/C18H19N5O3S/c1-11-15-9-14(10-19-17(15)22-21-11)20-18(24)13-5-6-16-12(8-13)4-3-7-23(16)27(2,25)26/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeyDNQRSWKVSLPVBM-UHFFFAOYSA-N
XLogP2.23
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-3-pyridinyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119515394
2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
CID 119255068
N-(5-fluoro-2-methylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 7602964
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167760284
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
N-(3-chloro-4-cyanophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 26700840
N-dibenzofuran-3-yl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 5306913
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
1-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78889850

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 86843305) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is Cc1[nH]nc2ncc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cc12.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is DNQRSWKVSLPVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-11-15-9-14(10-19-17(15)22-21-11)20-18(24)13-5-6-16-12(8-13)4-3-7-23(16)27(2,25)26/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 86843305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).