N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide

C31H32F4N4O6S — CID 122502875

IUPACN-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)cc2c1NC(=O)C2
InChIInChI=1S/C31H32F4N4O6S/c1-28(2,3)46(43)39-29(4)15-45-26-20(29)13-22(37-25(26)16-6-8-19(32)9-7-16)30(42,31(33,34)35)14-36-27(41)18-10-17-12-23(40)38-24(17)21(11-18)44-5/h6-11,13,39,42H,12,14-15H2,1-5H3,(H,36,41)(H,38,40)
InChIKeyDEJAAYMCPKGWOU-UHFFFAOYSA-N
MW664.68 g/mol
LogP4.23
Rot. Bonds8

About N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide

N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 122502875) has the molecular formula C31H32F4N4O6S and a molecular weight of 664.68 g/mol. Its IUPAC name is N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID122502875
Molecular FormulaC31H32F4N4O6S
Molecular Weight664.68 g/mol
Exact Mass664.20
IUPAC NameN-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)cc2c1NC(=O)C2
InChIInChI=1S/C31H32F4N4O6S/c1-28(2,3)46(43)39-29(4)15-45-26-20(29)13-22(37-25(26)16-6-8-19(32)9-7-16)30(42,31(33,34)35)14-36-27(41)18-10-17-12-23(40)38-24(17)21(11-18)44-5/h6-11,13,39,42H,12,14-15H2,1-5H3,(H,36,41)(H,38,40)
InChIKeyDEJAAYMCPKGWOU-UHFFFAOYSA-N
XLogP4.23
TPSA138.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.68
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide (CID 122502875) is N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)NS(=O)C(C)(C)C)C(F)(F)F)cc2c1NC(=O)C2.
What is the InChIKey of N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is DEJAAYMCPKGWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F4N4O6S/c1-28(2,3)46(43)39-29(4)15-45-26-20(29)13-22(37-25(26)16-6-8-19(32)9-7-16)30(42,31(33,34)35)14-36-27(41)18-10-17-12-23(40)38-24(17)21(11-18)44-5/h6-11,13,39,42H,12,14-15H2,1-5H3,(H,36,41)(H,38,40).
What are the key properties of N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 664.68 g/mol, XLogP of 4.23, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-methoxy-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 122502875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).