6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide

C26H22N6O3S — CID 147113539

IUPAC6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4c3ccn4S(=O)(=O)c3ccccc3)cnc2N)nc1
InChIInChI=1S/C26H22N6O3S/c1-31(2)26(33)17-8-9-23(29-15-17)22-14-18(16-30-24(22)27)20-10-12-28-25-21(20)11-13-32(25)36(34,35)19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,27,30)
InChIKeyBMYRWYMFGPFIPX-UHFFFAOYSA-N
MW498.57 g/mol
LogP3.68
Rot. Bonds5

About 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide

6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 147113539) has the molecular formula C26H22N6O3S and a molecular weight of 498.57 g/mol. Its IUPAC name is 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID147113539
Molecular FormulaC26H22N6O3S
Molecular Weight498.57 g/mol
Exact Mass498.15
IUPAC Name6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(-c3ccnc4c3ccn4S(=O)(=O)c3ccccc3)cnc2N)nc1
InChIInChI=1S/C26H22N6O3S/c1-31(2)26(33)17-8-9-23(29-15-17)22-14-18(16-30-24(22)27)20-10-12-28-25-21(20)11-13-32(25)36(34,35)19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,27,30)
InChIKeyBMYRWYMFGPFIPX-UHFFFAOYSA-N
XLogP3.68
TPSA124.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide (CID 147113539) is 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(-c2cc(-c3ccnc4c3ccn4S(=O)(=O)c3ccccc3)cnc2N)nc1.
What is the InChIKey of 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is BMYRWYMFGPFIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3S/c1-31(2)26(33)17-8-9-23(29-15-17)22-14-18(16-30-24(22)27)20-10-12-28-25-21(20)11-13-32(25)36(34,35)19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,27,30).
What are the key properties of 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide?
6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 498.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 147113539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).