4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide

C27H23F2N3O5S — CID 59283564

IUPAC4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide
SMILESCc1cccc(Cn2c(C(=O)NS(=O)(=O)C(C)C)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1F
InChIInChI=1S/C27H23F2N3O5S/c1-14(2)38(35,36)31-27(34)24-21(18-8-5-10-30-26(18)33)22-20(12-19(28)17-9-11-37-25(17)22)32(24)13-16-7-4-6-15(3)23(16)29/h4-12,14H,13H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyWTRZJTMFTNIFAZ-UHFFFAOYSA-N
MW539.56 g/mol
LogP4.85
Rot. Bonds6

About 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide

4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide (PubChem CID 59283564) has the molecular formula C27H23F2N3O5S and a molecular weight of 539.56 g/mol. Its IUPAC name is 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound Name4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide
PubChem CID59283564
Molecular FormulaC27H23F2N3O5S
Molecular Weight539.56 g/mol
Exact Mass539.13
IUPAC Name4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide
SMILESCc1cccc(Cn2c(C(=O)NS(=O)(=O)C(C)C)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1F
InChIInChI=1S/C27H23F2N3O5S/c1-14(2)38(35,36)31-27(34)24-21(18-8-5-10-30-26(18)33)22-20(12-19(28)17-9-11-37-25(17)22)32(24)13-16-7-4-6-15(3)23(16)29/h4-12,14H,13H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyWTRZJTMFTNIFAZ-UHFFFAOYSA-N
XLogP4.85
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide?
The IUPAC name of 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide (CID 59283564) is 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide.
What is the SMILES notation for 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide?
The canonical SMILES for 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide is Cc1cccc(Cn2c(C(=O)NS(=O)(=O)C(C)C)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1F.
What is the InChIKey of 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide?
The InChIKey is WTRZJTMFTNIFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N3O5S/c1-14(2)38(35,36)31-27(34)24-21(18-8-5-10-30-26(18)33)22-20(12-19(28)17-9-11-37-25(17)22)32(24)13-16-7-4-6-15(3)23(16)29/h4-12,14H,13H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide?
4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide has a molecular weight of 539.56 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(2-fluoro-3-methylphenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 59283564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).