2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

C26H26F2N6O4S — CID 58251949

IUPAC2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCOCC5)nc4)cc3c2)c1F
InChIInChI=1S/C26H26F2N6O4S/c1-2-11-39(36,37)33-20-5-4-19(27)23(24(20)28)26(35)31-18-12-17-13-21(32-25(17)30-15-18)16-3-6-22(29-14-16)34-7-9-38-10-8-34/h3-6,12-15,33H,2,7-11H2,1H3,(H,30,32)(H,31,35)
InChIKeyDVEWCLCYSARFGF-UHFFFAOYSA-N
MW556.60 g/mol
LogP4.14
Rot. Bonds8

About 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 58251949) has the molecular formula C26H26F2N6O4S and a molecular weight of 556.60 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
PubChem CID58251949
Molecular FormulaC26H26F2N6O4S
Molecular Weight556.60 g/mol
Exact Mass556.17
IUPAC Name2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCOCC5)nc4)cc3c2)c1F
InChIInChI=1S/C26H26F2N6O4S/c1-2-11-39(36,37)33-20-5-4-19(27)23(24(20)28)26(35)31-18-12-17-13-21(32-25(17)30-15-18)16-3-6-22(29-14-16)34-7-9-38-10-8-34/h3-6,12-15,33H,2,7-11H2,1H3,(H,30,32)(H,31,35)
InChIKeyDVEWCLCYSARFGF-UHFFFAOYSA-N
XLogP4.14
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.60
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide 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 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (CID 58251949) is 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(N5CCOCC5)nc4)cc3c2)c1F.
What is the InChIKey of 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
The InChIKey is DVEWCLCYSARFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O4S/c1-2-11-39(36,37)33-20-5-4-19(27)23(24(20)28)26(35)31-18-12-17-13-21(32-25(17)30-15-18)16-3-6-22(29-14-16)34-7-9-38-10-8-34/h3-6,12-15,33H,2,7-11H2,1H3,(H,30,32)(H,31,35).
What are the key properties of 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?
2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 556.60 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 58251949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).