cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone

C37H34FN7O3S — CID 90031347

IUPACcyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(N5CCN(C(=O)C6CC6)CC5)nc4)cnc32)cc1
InChIInChI=1S/C37H34FN7O3S/c1-25-5-10-32(11-6-25)49(47,48)45-24-34(30-21-41-44(23-30)22-26-3-2-4-31(38)17-26)33-18-29(20-40-36(33)45)28-9-12-35(39-19-28)42-13-15-43(16-14-42)37(46)27-7-8-27/h2-6,9-12,17-21,23-24,27H,7-8,13-16,22H2,1H3
InChIKeyXNPYVTKAKWSCGI-UHFFFAOYSA-N
MW675.79 g/mol
LogP5.75
Rot. Bonds8

About cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone

cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 90031347) has the molecular formula C37H34FN7O3S and a molecular weight of 675.79 g/mol. Its IUPAC name is cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID90031347
Molecular FormulaC37H34FN7O3S
Molecular Weight675.79 g/mol
Exact Mass675.24
IUPAC Namecyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(N5CCN(C(=O)C6CC6)CC5)nc4)cnc32)cc1
InChIInChI=1S/C37H34FN7O3S/c1-25-5-10-32(11-6-25)49(47,48)45-24-34(30-21-41-44(23-30)22-26-3-2-4-31(38)17-26)33-18-29(20-40-36(33)45)28-9-12-35(39-19-28)42-13-15-43(16-14-42)37(46)27-7-8-27/h2-6,9-12,17-21,23-24,27H,7-8,13-16,22H2,1H3
InChIKeyXNPYVTKAKWSCGI-UHFFFAOYSA-N
XLogP5.75
TPSA106.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone 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 cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone (CID 90031347) is cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(N5CCN(C(=O)C6CC6)CC5)nc4)cnc32)cc1.
What is the InChIKey of cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is XNPYVTKAKWSCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34FN7O3S/c1-25-5-10-32(11-6-25)49(47,48)45-24-34(30-21-41-44(23-30)22-26-3-2-4-31(38)17-26)33-18-29(20-40-36(33)45)28-9-12-35(39-19-28)42-13-15-43(16-14-42)37(46)27-7-8-27/h2-6,9-12,17-21,23-24,27H,7-8,13-16,22H2,1H3.
What are the key properties of cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 675.79 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[5-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90031347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).