N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide

C25H20N6O2S — CID 162663750

IUPACN-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCn1cc(-c2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)cn1
InChIInChI=1S/C25H20N6O2S/c1-31-15-21(13-29-31)18-5-3-17(4-6-18)20-10-23-24(14-28-25(23)27-12-20)19-7-16(11-26)8-22(9-19)30-34(2,32)33/h3-10,12-15,30H,1-2H3,(H,27,28)
InChIKeyRTTRGRZSSXZBOA-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.54
Rot. Bonds5

About N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide

N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 162663750) has the molecular formula C25H20N6O2S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide
PubChem CID162663750
Molecular FormulaC25H20N6O2S
Molecular Weight468.54 g/mol
Exact Mass468.14
IUPAC NameN-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide
SMILESCn1cc(-c2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)cn1
InChIInChI=1S/C25H20N6O2S/c1-31-15-21(13-29-31)18-5-3-17(4-6-18)20-10-23-24(14-28-25(23)27-12-20)19-7-16(11-26)8-22(9-19)30-34(2,32)33/h3-10,12-15,30H,1-2H3,(H,27,28)
InChIKeyRTTRGRZSSXZBOA-UHFFFAOYSA-N
XLogP4.54
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide 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 N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide (CID 162663750) is N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide is Cn1cc(-c2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)cn1.
What is the InChIKey of N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide?
The InChIKey is RTTRGRZSSXZBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2S/c1-31-15-21(13-29-31)18-5-3-17(4-6-18)20-10-23-24(14-28-25(23)27-12-20)19-7-16(11-26)8-22(9-19)30-34(2,32)33/h3-10,12-15,30H,1-2H3,(H,27,28).
What are the key properties of N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide?
N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 468.54 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-5-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 162663750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).