1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide

C23H26N6O2S — CID 71090255

IUPAC1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3cnn(C)c3)ccnc21
InChIInChI=1S/C23H26N6O2S/c1-15(2)29-14-19(17-6-5-16-8-10-27(3)21(16)11-17)22-20(7-9-24-23(22)29)26-32(30,31)18-12-25-28(4)13-18/h5-7,9,11-15H,8,10H2,1-4H3,(H,24,26)
InChIKeyBIKVJMRQLHZSEP-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.81
Rot. Bonds5

About 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide

1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide (PubChem CID 71090255) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide
PubChem CID71090255
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide
SMILESCC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3cnn(C)c3)ccnc21
InChIInChI=1S/C23H26N6O2S/c1-15(2)29-14-19(17-6-5-16-8-10-27(3)21(16)11-17)22-20(7-9-24-23(22)29)26-32(30,31)18-12-25-28(4)13-18/h5-7,9,11-15H,8,10H2,1-4H3,(H,24,26)
InChIKeyBIKVJMRQLHZSEP-UHFFFAOYSA-N
XLogP3.81
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide (CID 71090255) is 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide is CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3cnn(C)c3)ccnc21.
What is the InChIKey of 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is BIKVJMRQLHZSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-15(2)29-14-19(17-6-5-16-8-10-27(3)21(16)11-17)22-20(7-9-24-23(22)29)26-32(30,31)18-12-25-28(4)13-18/h5-7,9,11-15H,8,10H2,1-4H3,(H,24,26).
What are the key properties of 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide?
1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 450.57 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(1-methyl-2,3-dihydroindol-6-yl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71090255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).