6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

C30H21F2N3O5 — CID 58371583

IUPAC6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(NC1CC1)C1=Cc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2C1
InChIInChI=1S/C30H21F2N3O5/c31-21-11-15-9-16(28(36)34-18-3-4-18)8-14(15)10-17(21)13-35-23-12-22(32)19-5-7-40-27(19)25(23)24(26(35)30(38)39)20-2-1-6-33-29(20)37/h1-2,5-7,9-12,18H,3-4,8,13H2,(H,33,37)(H,34,36)(H,38,39)
InChIKeyXCBIIFWCFWYQKS-UHFFFAOYSA-N
MW541.51 g/mol
LogP4.99
Rot. Bonds6

About 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid

6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 58371583) has the molecular formula C30H21F2N3O5 and a molecular weight of 541.51 g/mol. Its IUPAC name is 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID58371583
Molecular FormulaC30H21F2N3O5
Molecular Weight541.51 g/mol
Exact Mass541.14
IUPAC Name6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(NC1CC1)C1=Cc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2C1
InChIInChI=1S/C30H21F2N3O5/c31-21-11-15-9-16(28(36)34-18-3-4-18)8-14(15)10-17(21)13-35-23-12-22(32)19-5-7-40-27(19)25(23)24(26(35)30(38)39)20-2-1-6-33-29(20)37/h1-2,5-7,9-12,18H,3-4,8,13H2,(H,33,37)(H,34,36)(H,38,39)
InChIKeyXCBIIFWCFWYQKS-UHFFFAOYSA-N
XLogP4.99
TPSA117.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.51
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid with MolForge

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Related Compounds

6-[(4-chloroquinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 58371479
6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfanylfuro[2,3-e]indole-7-carboxamide
CID 89080814
6-[(2,4-difluorophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 25172915
6-[(3-chloronaphthalen-1-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 59283535
6-[(4-amino-3-oxo-1,2-dihydroquinoxalin-2-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
CID 121477701
ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
CID 59283467
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
6-[(5-acetylthiophen-3-yl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
CID 163603724
11-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-8-fluoro-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16,18-octaen-13-one;6-[(3-amino-6-fluoro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid;methane;octaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79-nonaheptacontaene
CID 161014003
propyl 6-[[2-[3-(dimethylamino)-2-oxopropyl]quinolin-4-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
CID 58371532
6-[(5-carbamoylthiophen-3-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide
CID 25173149
N-cyclopropylsulfonyl-5-fluoro-3-[(2-fluorophenyl)methyl]-1-(2-oxo-1H-pyridin-3-yl)benzo[e]indole-2-carboxamide
CID 25109331

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 58371583) is 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(NC1CC1)C1=Cc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2C1.
What is the InChIKey of 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is XCBIIFWCFWYQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F2N3O5/c31-21-11-15-9-16(28(36)34-18-3-4-18)8-14(15)10-17(21)13-35-23-12-22(32)19-5-7-40-27(19)25(23)24(26(35)30(38)39)20-2-1-6-33-29(20)37/h1-2,5-7,9-12,18H,3-4,8,13H2,(H,33,37)(H,34,36)(H,38,39).
What are the key properties of 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 541.51 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylcarbamoyl)-6-fluoro-3H-inden-5-yl]methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).