1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C42H40N8O2S — CID 157151782

IUPAC1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(C4=CC5CCC4C5)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CC5CCC4C5)cc23)cn1
InChIInChI=1S/C24H22N4O2S.C18H18N4/c1-27-14-19(13-26-27)23-15-28(31(29,30)20-5-3-2-4-6-20)24-22(23)11-18(12-25-24)21-10-16-7-8-17(21)9-16;1-22-10-14(8-21-22)17-9-20-18-16(17)6-13(7-19-18)15-5-11-2-3-12(15)4-11/h2-6,10-17H,7-9H2,1H3;5-12H,2-4H2,1H3,(H,19,20)
InChIKeyALILNSDZHDDKDH-UHFFFAOYSA-N
MW720.90 g/mol
LogP8.26
Rot. Bonds6

About 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157151782) has the molecular formula C42H40N8O2S and a molecular weight of 720.90 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID157151782
Molecular FormulaC42H40N8O2S
Molecular Weight720.90 g/mol
Exact Mass720.30
IUPAC Name1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(C4=CC5CCC4C5)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CC5CCC4C5)cc23)cn1
InChIInChI=1S/C24H22N4O2S.C18H18N4/c1-27-14-19(13-26-27)23-15-28(31(29,30)20-5-3-2-4-6-20)24-22(23)11-18(12-25-24)21-10-16-7-8-17(21)9-16;1-22-10-14(8-21-22)17-9-20-18-16(17)6-13(7-19-18)15-5-11-2-3-12(15)4-11/h2-6,10-17H,7-9H2,1H3;5-12H,2-4H2,1H3,(H,19,20)
InChIKeyALILNSDZHDDKDH-UHFFFAOYSA-N
XLogP8.26
TPSA116.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine 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,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
4-[1-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 155513294
4-[1-[1-(benzenesulfonyl)piperidin-4-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 155534619
4-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 155538799
1-benzenesulfonyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridine
CID 59053713
4-ethyl-N-[1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]benzenesulfonamide
CID 86718053
N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]-4-methyl-benzenesulfonamide
CID 90114218
4-methyl-N-[3-methyl-1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]benzenesulfonamide
CID 90114544
N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]-4-ethyl-benzenesulfonamide
CID 90114829
4-methyl-N-[1-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]benzenesulfonamide
CID 90115080
3-[(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 164640532

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 157151782) is 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2c[nH]c3ncc(C4=CC5CCC4C5)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(C4=CC5CCC4C5)cc23)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ALILNSDZHDDKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S.C18H18N4/c1-27-14-19(13-26-27)23-15-28(31(29,30)20-5-3-2-4-6-20)24-22(23)11-18(12-25-24)21-10-16-7-8-17(21)9-16;1-22-10-14(8-21-22)17-9-20-18-16(17)6-13(7-19-18)15-5-11-2-3-12(15)4-11/h2-6,10-17H,7-9H2,1H3;5-12H,2-4H2,1H3,(H,19,20).
What are the key properties of 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 720.90 g/mol, XLogP of 8.26, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2-bicyclo[2.2.1]hept-2-enyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157151782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).