N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C41H31F3N8O8S2 — CID 158713175

IUPACN-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCOc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2C(F)(F)F)cc1)c1cc2ccncc2o1
InChIInChI=1S/C21H14F3N3O4S.C20H17N5O4S/c22-21(23,24)19-18(2-1-8-26-19)32(29,30)15-5-3-13(4-6-15)11-27-20(28)16-10-14-7-9-25-12-17(14)31-16;1-29-16-8-18(12-21-11-16)30(27,28)17-4-2-14(3-5-17)9-23-19(26)15-10-24-20-22-6-7-25(20)13-15/h1-10,12H,11H2,(H,27,28);2-8,10-13H,9H2,1H3,(H,23,26)
InChIKeyIIZDXDDNVUIUCT-UHFFFAOYSA-N
MW884.87 g/mol
LogP5.90
Rot. Bonds11

About N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 158713175) has the molecular formula C41H31F3N8O8S2 and a molecular weight of 884.87 g/mol. Its IUPAC name is N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID158713175
Molecular FormulaC41H31F3N8O8S2
Molecular Weight884.87 g/mol
Exact Mass884.17
IUPAC NameN-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCOc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2C(F)(F)F)cc1)c1cc2ccncc2o1
InChIInChI=1S/C21H14F3N3O4S.C20H17N5O4S/c22-21(23,24)19-18(2-1-8-26-19)32(29,30)15-5-3-13(4-6-15)11-27-20(28)16-10-14-7-9-25-12-17(14)31-16;1-29-16-8-18(12-21-11-16)30(27,28)17-4-2-14(3-5-17)9-23-19(26)15-10-24-20-22-6-7-25(20)13-15/h1-10,12H,11H2,(H,27,28);2-8,10-13H,9H2,1H3,(H,23,26)
InChIKeyIIZDXDDNVUIUCT-UHFFFAOYSA-N
XLogP5.90
TPSA217.71 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.87
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 68276725
N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71728058
N-[[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71696721
N-[[5-(3,5-difluorophenyl)sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71726496
N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 89793543
N-[[5-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 89793577
N-[[5-[3-(trifluoromethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193539
N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610403
N-[[4-(benzenesulfonyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66612525
N-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-N-[[4-(3,5-dimethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 88919778
N-[[4-(4-butoxyphenyl)sulfonylphenyl]methyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-(4-cyclohexylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[(4-pyridin-3-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 88919817
N-[[4-(3-chloro-2-fluorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[5-hydroxy-2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-2-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90011704

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 158713175) is N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is COc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cccnc2C(F)(F)F)cc1)c1cc2ccncc2o1.
What is the InChIKey of N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IIZDXDDNVUIUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O4S.C20H17N5O4S/c22-21(23,24)19-18(2-1-8-26-19)32(29,30)15-5-3-13(4-6-15)11-27-20(28)16-10-14-7-9-25-12-17(14)31-16;1-29-16-8-18(12-21-11-16)30(27,28)17-4-2-14(3-5-17)9-23-19(26)15-10-24-20-22-6-7-25(20)13-15/h1-10,12H,11H2,(H,27,28);2-8,10-13H,9H2,1H3,(H,23,26).
What are the key properties of N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 884.87 g/mol, XLogP of 5.90, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 158713175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).