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

C27H22F6N4O5 — CID 122502776

IUPACN-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC1(N)COc2c1cc(C(O)(CNC(=O)c1cc3c(c(OC(F)F)c1)NC(=O)C3)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H22F6N4O5/c1-25(34)11-41-22-16(25)9-18(36-21(22)12-2-4-15(28)5-3-12)26(40,27(31,32)33)10-35-23(39)14-6-13-8-19(38)37-20(13)17(7-14)42-24(29)30/h2-7,9,24,40H,8,10-11,34H2,1H3,(H,35,39)(H,37,38)
InChIKeyAVMHYAHNQHYPPL-UHFFFAOYSA-N
MW596.48 g/mol
LogP3.73
Rot. Bonds7

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

N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 122502776) has the molecular formula C27H22F6N4O5 and a molecular weight of 596.48 g/mol. Its IUPAC name is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID122502776
Molecular FormulaC27H22F6N4O5
Molecular Weight596.48 g/mol
Exact Mass596.15
IUPAC NameN-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCC1(N)COc2c1cc(C(O)(CNC(=O)c1cc3c(c(OC(F)F)c1)NC(=O)C3)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H22F6N4O5/c1-25(34)11-41-22-16(25)9-18(36-21(22)12-2-4-15(28)5-3-12)26(40,27(31,32)33)10-35-23(39)14-6-13-8-19(38)37-20(13)17(7-14)42-24(29)30/h2-7,9,24,40H,8,10-11,34H2,1H3,(H,35,39)(H,37,38)
InChIKeyAVMHYAHNQHYPPL-UHFFFAOYSA-N
XLogP3.73
TPSA135.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.48
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-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-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 122502776) is N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide is CC1(N)COc2c1cc(C(O)(CNC(=O)c1cc3c(c(OC(F)F)c1)NC(=O)C3)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is AVMHYAHNQHYPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F6N4O5/c1-25(34)11-41-22-16(25)9-18(36-21(22)12-2-4-15(28)5-3-12)26(40,27(31,32)33)10-35-23(39)14-6-13-8-19(38)37-20(13)17(7-14)42-24(29)30/h2-7,9,24,40H,8,10-11,34H2,1H3,(H,35,39)(H,37,38).
What are the key properties of N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 596.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-7-(difluoromethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 122502776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).