N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide

C25H24N6O2S — CID 71729569

IUPACN-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide
SMILESCn1cc(-c2cc3cnc(Nc4cccc(NS(C)(=O)=O)c4)cc3n2Cc2ccccc2)cn1
InChIInChI=1S/C25H24N6O2S/c1-30-17-20(15-27-30)23-11-19-14-26-25(13-24(19)31(23)16-18-7-4-3-5-8-18)28-21-9-6-10-22(12-21)29-34(2,32)33/h3-15,17,29H,16H2,1-2H3,(H,26,28)
InChIKeyFFOUSSKKRHPAPP-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.60
Rot. Bonds7

About N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide

N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide (PubChem CID 71729569) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide
PubChem CID71729569
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC NameN-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide
SMILESCn1cc(-c2cc3cnc(Nc4cccc(NS(C)(=O)=O)c4)cc3n2Cc2ccccc2)cn1
InChIInChI=1S/C25H24N6O2S/c1-30-17-20(15-27-30)23-11-19-14-26-25(13-24(19)31(23)16-18-7-4-3-5-8-18)28-21-9-6-10-22(12-21)29-34(2,32)33/h3-15,17,29H,16H2,1-2H3,(H,26,28)
InChIKeyFFOUSSKKRHPAPP-UHFFFAOYSA-N
XLogP4.60
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide (CID 71729569) is N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide is Cn1cc(-c2cc3cnc(Nc4cccc(NS(C)(=O)=O)c4)cc3n2Cc2ccccc2)cn1.
What is the InChIKey of N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide?
The InChIKey is FFOUSSKKRHPAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-30-17-20(15-27-30)23-11-19-14-26-25(13-24(19)31(23)16-18-7-4-3-5-8-18)28-21-9-6-10-22(12-21)29-34(2,32)33/h3-15,17,29H,16H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide?
N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide has a molecular weight of 472.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-benzyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 71729569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).