11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C19H22N4O3S — CID 91629722

IUPAC11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cnn4c3CCCC4)cc3c2N1CC3
InChIInChI=1S/C19H22N4O3S/c24-18-5-4-13-9-16(10-14-6-8-22(18)19(13)14)27(25,26)21-12-15-11-20-23-7-2-1-3-17(15)23/h9-11,21H,1-8,12H2
InChIKeyMVIZDMVBQXTANK-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.53
Rot. Bonds4

About 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 91629722) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound Name11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID91629722
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCc3cnn4c3CCCC4)cc3c2N1CC3
InChIInChI=1S/C19H22N4O3S/c24-18-5-4-13-9-16(10-14-6-8-22(18)19(13)14)27(25,26)21-12-15-11-20-23-7-2-1-3-17(15)23/h9-11,21H,1-8,12H2
InChIKeyMVIZDMVBQXTANK-UHFFFAOYSA-N
XLogP1.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide with MolForge

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Related Compounds

5-fluoro-1-methyl-6-[4-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]-1H-pyrazol-5-yl]-3,4-dihydroquinolin-2-one
CID 130303913
2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2,3,4-tetrahydro-6-quinolinesulfonamide hydrochloride
CID 70710864
oxo-3-oxo-2a-aza-1,2,4,5-tetrahydro-3H-acenaphthylen-7-yl{[(2-pyridyl)methyl]amino}-lambda-sulfaniumolate
CID 7526432
6-{[4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl]sulfonyl}-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-11-one
CID 76151035
11-oxo-N-{2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 86266433
6-((6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)sulfonyl)-3,4-dihydroquinolin-2(1H)-one
CID 121170847
5-(3-fluorophenyl)-N,2-dimethyl-4-oxopyrazolo[4,3-c]quinoline-8-sulfonamide
CID 169639097
5-(4-fluorophenyl)-N,2-dimethyl-4-oxopyrazolo[4,3-c]quinoline-8-sulfonamide
CID 169639211
5-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-N,2-dimethyl-4-oxopyrazolo[4,3-c]quinoline-8-sulfonamide
CID 169639578
7-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55905295
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 154737899
11-oxo-N-[(pyridin-3-yl)methyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526433

Frequently Asked Questions

What is the IUPAC name of 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 91629722) is 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCc3cnn4c3CCCC4)cc3c2N1CC3.
What is the InChIKey of 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is MVIZDMVBQXTANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-18-5-4-13-9-16(10-14-6-8-22(18)19(13)14)27(25,26)21-12-15-11-20-23-7-2-1-3-17(15)23/h9-11,21H,1-8,12H2.
What are the key properties of 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 91629722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).