N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C26H23FN4O4S — CID 90421421

IUPACN-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)cc12
InChIInChI=1S/C26H23FN4O4S/c1-35-24-8-7-18(27)15-21(24)20-9-12-28-25-22(20)16-23(29-25)17-10-13-31(14-11-17)26(32)30-36(33,34)19-5-3-2-4-6-19/h2-10,12,15-16H,11,13-14H2,1H3,(H,28,29)(H,30,32)
InChIKeyQARYSJJDKYYGQB-UHFFFAOYSA-N
MW506.56 g/mol
LogP4.57
Rot. Bonds5

About N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90421421) has the molecular formula C26H23FN4O4S and a molecular weight of 506.56 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90421421
Molecular FormulaC26H23FN4O4S
Molecular Weight506.56 g/mol
Exact Mass506.14
IUPAC NameN-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)cc12
InChIInChI=1S/C26H23FN4O4S/c1-35-24-8-7-18(27)15-21(24)20-9-12-28-25-22(20)16-23(29-25)17-10-13-31(14-11-17)26(32)30-36(33,34)19-5-3-2-4-6-19/h2-10,12,15-16H,11,13-14H2,1H3,(H,28,29)(H,30,32)
InChIKeyQARYSJJDKYYGQB-UHFFFAOYSA-N
XLogP4.57
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide 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-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90421421) is N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(C(=O)NS(=O)(=O)c4ccccc4)CC3)cc12.
What is the InChIKey of N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is QARYSJJDKYYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4S/c1-35-24-8-7-18(27)15-21(24)20-9-12-28-25-22(20)16-23(29-25)17-10-13-31(14-11-17)26(32)30-36(33,34)19-5-3-2-4-6-19/h2-10,12,15-16H,11,13-14H2,1H3,(H,28,29)(H,30,32).
What are the key properties of N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90421421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).