N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C20H21N5O4S — CID 166192311

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC(=O)CCC3Cc4ccccc4NC3=O)cc12
InChIInChI=1S/C20H21N5O4S/c1-12-16-10-15(11-21-19(16)25(2)23-12)30(28,29)24-18(26)8-7-14-9-13-5-3-4-6-17(13)22-20(14)27/h3-6,10-11,14H,7-9H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyOYADJBVKBYASMI-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.67
Rot. Bonds5

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 166192311) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID166192311
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC(=O)CCC3Cc4ccccc4NC3=O)cc12
InChIInChI=1S/C20H21N5O4S/c1-12-16-10-15(11-21-19(16)25(2)23-12)30(28,29)24-18(26)8-7-14-9-13-5-3-4-6-17(13)22-20(14)27/h3-6,10-11,14H,7-9H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyOYADJBVKBYASMI-UHFFFAOYSA-N
XLogP1.67
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 166192311) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is Cc1nn(C)c2ncc(S(=O)(=O)NC(=O)CCC3Cc4ccccc4NC3=O)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is OYADJBVKBYASMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-12-16-10-15(11-21-19(16)25(2)23-12)30(28,29)24-18(26)8-7-14-9-13-5-3-4-6-17(13)22-20(14)27/h3-6,10-11,14H,7-9H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 427.49 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 166192311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).