5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide

C20H20N6O4S — CID 151143662

IUPAC5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCc3cnn(S(=O)(=O)c4ccc(C(N)=O)cc4)c3C2)cn1
InChIInChI=1S/C20H20N6O4S/c1-22-20(28)17-7-4-15(11-23-17)25-9-8-14-10-24-26(18(14)12-25)31(29,30)16-5-2-13(3-6-16)19(21)27/h2-7,10-11H,8-9,12H2,1H3,(H2,21,27)(H,22,28)
InChIKeyMWSRFENGWCQSQS-UHFFFAOYSA-N
MW440.49 g/mol
LogP0.54
Rot. Bonds5

About 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide

5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide (PubChem CID 151143662) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide
PubChem CID151143662
Molecular FormulaC20H20N6O4S
Molecular Weight440.49 g/mol
Exact Mass440.13
IUPAC Name5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCc3cnn(S(=O)(=O)c4ccc(C(N)=O)cc4)c3C2)cn1
InChIInChI=1S/C20H20N6O4S/c1-22-20(28)17-7-4-15(11-23-17)25-9-8-14-10-24-26(18(14)12-25)31(29,30)16-5-2-13(3-6-16)19(21)27/h2-7,10-11H,8-9,12H2,1H3,(H2,21,27)(H,22,28)
InChIKeyMWSRFENGWCQSQS-UHFFFAOYSA-N
XLogP0.54
TPSA140.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide (CID 151143662) is 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCc3cnn(S(=O)(=O)c4ccc(C(N)=O)cc4)c3C2)cn1.
What is the InChIKey of 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is MWSRFENGWCQSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S/c1-22-20(28)17-7-4-15(11-23-17)25-9-8-14-10-24-26(18(14)12-25)31(29,30)16-5-2-13(3-6-16)19(21)27/h2-7,10-11H,8-9,12H2,1H3,(H2,21,27)(H,22,28).
What are the key properties of 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide?
5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-carbamoylphenyl)sulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 151143662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).