N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide

C26H26F2N6O4S — CID 58095351

IUPACN-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(N5CCOCC5)nc4)[nH]c3c2)c1F
InChIInChI=1S/C26H26F2N6O4S/c1-2-11-39(36,37)33-19-5-4-18(27)23(24(19)28)21(35)13-16-12-20-26(30-14-16)32-25(31-20)17-3-6-22(29-15-17)34-7-9-38-10-8-34/h3-6,12,14-15,33H,2,7-11,13H2,1H3,(H,30,31,32)
InChIKeyMQFWHIPSVLAFQN-UHFFFAOYSA-N
MW556.60 g/mol
LogP3.71
Rot. Bonds9

About N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide (PubChem CID 58095351) has the molecular formula C26H26F2N6O4S and a molecular weight of 556.60 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide
PubChem CID58095351
Molecular FormulaC26H26F2N6O4S
Molecular Weight556.60 g/mol
Exact Mass556.17
IUPAC NameN-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(N5CCOCC5)nc4)[nH]c3c2)c1F
InChIInChI=1S/C26H26F2N6O4S/c1-2-11-39(36,37)33-19-5-4-18(27)23(24(19)28)21(35)13-16-12-20-26(30-14-16)32-25(31-20)17-3-6-22(29-15-17)34-7-9-38-10-8-34/h3-6,12,14-15,33H,2,7-11,13H2,1H3,(H,30,31,32)
InChIKeyMQFWHIPSVLAFQN-UHFFFAOYSA-N
XLogP3.71
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.60
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide with MolForge

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Related Compounds

Plx4032
CID 53438230
2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide
CID 44199417
2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
2,6-difluoro-3-(propylsulfonylamino)-N-[2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
CID 44231244
N-[2-fluoro-3-[5-(2-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-1-phenylmethanesulfonamide
CID 146302404
2,6-difluoro-3-(propylsulfonamido)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 44199408
2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223675
2,6-difluoro-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide
CID 44230849
2,6-difluoro-N-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonylamino)benzamide
CID 44230852
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 44230853
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 44230854
2,6-difluoro-N-(2-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide
CID 44230986

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide (CID 58095351) is N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3nc(-c4ccc(N5CCOCC5)nc4)[nH]c3c2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide?
The InChIKey is MQFWHIPSVLAFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O4S/c1-2-11-39(36,37)33-19-5-4-18(27)23(24(19)28)21(35)13-16-12-20-26(30-14-16)32-25(31-20)17-3-6-22(29-15-17)34-7-9-38-10-8-34/h3-6,12,14-15,33H,2,7-11,13H2,1H3,(H,30,31,32).
What are the key properties of N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide has a molecular weight of 556.60 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-imidazo[4,5-b]pyridin-6-yl]acetyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58095351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).