N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide

C22H21N5O2S — CID 90186754

IUPACN-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide
SMILESCN1CCc2ccc(-c3cn(C)c4nccc(NS(=O)(=O)c5cccnc5)c34)cc21
InChIInChI=1S/C22H21N5O2S/c1-26-11-8-15-5-6-16(12-20(15)26)18-14-27(2)22-21(18)19(7-10-24-22)25-30(28,29)17-4-3-9-23-13-17/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,24,25)
InChIKeyPMHDBRCIDCPOIG-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.43
Rot. Bonds4

About N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide

N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide (PubChem CID 90186754) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide
PubChem CID90186754
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide
SMILESCN1CCc2ccc(-c3cn(C)c4nccc(NS(=O)(=O)c5cccnc5)c34)cc21
InChIInChI=1S/C22H21N5O2S/c1-26-11-8-15-5-6-16(12-20(15)26)18-14-27(2)22-21(18)19(7-10-24-22)25-30(28,29)17-4-3-9-23-13-17/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,24,25)
InChIKeyPMHDBRCIDCPOIG-UHFFFAOYSA-N
XLogP3.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide (CID 90186754) is N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide is CN1CCc2ccc(-c3cn(C)c4nccc(NS(=O)(=O)c5cccnc5)c34)cc21.
What is the InChIKey of N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide?
The InChIKey is PMHDBRCIDCPOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-26-11-8-15-5-6-16(12-20(15)26)18-14-27(2)22-21(18)19(7-10-24-22)25-30(28,29)17-4-3-9-23-13-17/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,24,25).
What are the key properties of N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide?
N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(1-methyl-2,3-dihydroindol-6-yl)pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 90186754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).