6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

C27H20F2N4O6S — CID 25173071

IUPAC6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESNC(=O)c1ccc(F)c(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1
InChIInChI=1S/C27H20F2N4O6S/c28-18-6-3-13(25(30)34)10-14(18)12-33-20-11-19(29)16-7-9-39-24(16)22(20)21(17-2-1-8-31-26(17)35)23(33)27(36)32-40(37,38)15-4-5-15/h1-3,6-11,15H,4-5,12H2,(H2,30,34)(H,31,35)(H,32,36)
InChIKeyOGCJRSBWULLPRB-UHFFFAOYSA-N
MW566.54 g/mol
LogP3.39
Rot. Bonds7

About 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (PubChem CID 25173071) has the molecular formula C27H20F2N4O6S and a molecular weight of 566.54 g/mol. Its IUPAC name is 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound Name6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
PubChem CID25173071
Molecular FormulaC27H20F2N4O6S
Molecular Weight566.54 g/mol
Exact Mass566.11
IUPAC Name6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESNC(=O)c1ccc(F)c(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1
InChIInChI=1S/C27H20F2N4O6S/c28-18-6-3-13(25(30)34)10-14(18)12-33-20-11-19(29)16-7-9-39-24(16)22(20)21(17-2-1-8-31-26(17)35)23(33)27(36)32-40(37,38)15-4-5-15/h1-3,6-11,15H,4-5,12H2,(H2,30,34)(H,31,35)(H,32,36)
InChIKeyOGCJRSBWULLPRB-UHFFFAOYSA-N
XLogP3.39
TPSA157.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.54
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The IUPAC name of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (CID 25173071) is 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.
What is the SMILES notation for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The canonical SMILES for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is NC(=O)c1ccc(F)c(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1.
What is the InChIKey of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The InChIKey is OGCJRSBWULLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O6S/c28-18-6-3-13(25(30)34)10-14(18)12-33-20-11-19(29)16-7-9-39-24(16)22(20)21(17-2-1-8-31-26(17)35)23(33)27(36)32-40(37,38)15-4-5-15/h1-3,6-11,15H,4-5,12H2,(H2,30,34)(H,31,35)(H,32,36).
What are the key properties of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide has a molecular weight of 566.54 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 25173071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).