N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine

C50H60N6O8S2 — CID 162250538

IUPACN-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(C=CC4OCCO4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(CCC4OCCO4)cnc32)cc1
InChIInChI=1S/C25H31N3O4S.C25H29N3O4S/c2*1-18-7-10-21(11-8-18)33(29,30)28-14-13-22-24(27-20-5-3-2-4-6-20)19(17-26-25(22)28)9-12-23-31-15-16-32-23/h7-8,10-11,13-14,17,20,23H,2-6,9,12,15-16H2,1H3,(H,26,27);7-14,17,20,23H,2-6,15-16H2,1H3,(H,26,27)
InChIKeyZXXUGAGBYYLQGW-UHFFFAOYSA-N
MW937.20 g/mol
LogP9.34
Rot. Bonds13

About N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine

N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 162250538) has the molecular formula C50H60N6O8S2 and a molecular weight of 937.20 g/mol. Its IUPAC name is N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID162250538
Molecular FormulaC50H60N6O8S2
Molecular Weight937.20 g/mol
Exact Mass936.39
IUPAC NameN-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(C=CC4OCCO4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(CCC4OCCO4)cnc32)cc1
InChIInChI=1S/C25H31N3O4S.C25H29N3O4S/c2*1-18-7-10-21(11-8-18)33(29,30)28-14-13-22-24(27-20-5-3-2-4-6-20)19(17-26-25(22)28)9-12-23-31-15-16-32-23/h7-8,10-11,13-14,17,20,23H,2-6,9,12,15-16H2,1H3,(H,26,27);7-14,17,20,23H,2-6,15-16H2,1H3,(H,26,27)
InChIKeyZXXUGAGBYYLQGW-UHFFFAOYSA-N
XLogP9.34
TPSA164.90 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.20
LogP ≤ 59.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine 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-[1-(benzenesulfonyl)-4-(cyclopentylamino)pyrrolo[2,3-b]pyridin-5-yl]-N-oxidohydroxylamine
CID 170206885
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
[4-[[5-ethoxycarbonyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]methanesulfonic acid
CID 138595376
1-(4-methylphenyl)sulfonyl-4-N-piperidin-1-ylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 150240734
2-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N-methylethanamine
CID 67216563
N-(azepan-3-yl)-2-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 86706477
tert-butyl 3-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]azepane-1-carboxylate
CID 86706473
4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 126503485
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
4-chloro-5-[(Z)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 175140553
methyl 3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentane-1-carboxylate
CID 78042404
1-[4-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclohexyl]propan-2-one
CID 160695972

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine (CID 162250538) is N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine is Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(C=CC4OCCO4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NC4CCCCC4)c(CCC4OCCO4)cnc32)cc1.
What is the InChIKey of N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is ZXXUGAGBYYLQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S.C25H29N3O4S/c2*1-18-7-10-21(11-8-18)33(29,30)28-14-13-22-24(27-20-5-3-2-4-6-20)19(17-26-25(22)28)9-12-23-31-15-16-32-23/h7-8,10-11,13-14,17,20,23H,2-6,9,12,15-16H2,1H3,(H,26,27);7-14,17,20,23H,2-6,15-16H2,1H3,(H,26,27).
What are the key properties of N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine?
N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 937.20 g/mol, XLogP of 9.34, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine;N-cyclohexyl-5-[2-(1,3-dioxolan-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 162250538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).