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

C25H20F2N4O3S — CID 118897309

IUPACN-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)N1CC=C(c2cc3c(-c4cccc(F)c4F)ccnc3[nH]2)CC1
InChIInChI=1S/C25H20F2N4O3S/c26-21-8-4-7-19(23(21)27)18-9-12-28-24-20(18)15-22(29-24)16-10-13-31(14-11-16)25(32)30-35(33,34)17-5-2-1-3-6-17/h1-10,12,15H,11,13-14H2,(H,28,29)(H,30,32)
InChIKeyMMNRYJUHZVPKSL-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.70
Rot. Bonds4

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

N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 118897309) has the molecular formula C25H20F2N4O3S and a molecular weight of 494.52 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID118897309
Molecular FormulaC25H20F2N4O3S
Molecular Weight494.52 g/mol
Exact Mass494.12
IUPAC NameN-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)N1CC=C(c2cc3c(-c4cccc(F)c4F)ccnc3[nH]2)CC1
InChIInChI=1S/C25H20F2N4O3S/c26-21-8-4-7-19(23(21)27)18-9-12-28-24-20(18)15-22(29-24)16-10-13-31(14-11-16)25(32)30-35(33,34)17-5-2-1-3-6-17/h1-10,12,15H,11,13-14H2,(H,28,29)(H,30,32)
InChIKeyMMNRYJUHZVPKSL-UHFFFAOYSA-N
XLogP4.70
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 118897309) is N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-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-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NS(=O)(=O)c1ccccc1)N1CC=C(c2cc3c(-c4cccc(F)c4F)ccnc3[nH]2)CC1.
What is the InChIKey of N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MMNRYJUHZVPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3S/c26-21-8-4-7-19(23(21)27)18-9-12-28-24-20(18)15-22(29-24)16-10-13-31(14-11-16)25(32)30-35(33,34)17-5-2-1-3-6-17/h1-10,12,15H,11,13-14H2,(H,28,29)(H,30,32).
What are the key properties of N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[4-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 118897309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).