5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide

C25H20F2N6O2 — CID 66905088

IUPAC5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide
SMILESNC(=O)c1c(N2C=Cn3c(nc4c3NCCC4=O)C2)c2cc(F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C25H20F2N6O2/c26-15-3-1-2-14(10-15)12-33-18-5-4-16(27)11-17(18)22(23(33)24(28)35)31-8-9-32-20(13-31)30-21-19(34)6-7-29-25(21)32/h1-5,8-11,29H,6-7,12-13H2,(H2,28,35)
InChIKeyJHKPGIRIIBYVIJ-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.71
Rot. Bonds4

About 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide

5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide (PubChem CID 66905088) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide
PubChem CID66905088
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Name5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide
SMILESNC(=O)c1c(N2C=Cn3c(nc4c3NCCC4=O)C2)c2cc(F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C25H20F2N6O2/c26-15-3-1-2-14(10-15)12-33-18-5-4-16(27)11-17(18)22(23(33)24(28)35)31-8-9-32-20(13-31)30-21-19(34)6-7-29-25(21)32/h1-5,8-11,29H,6-7,12-13H2,(H2,28,35)
InChIKeyJHKPGIRIIBYVIJ-UHFFFAOYSA-N
XLogP3.71
TPSA98.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide with MolForge

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Related Compounds

5-fluoro-1-[(3-fluorophenyl)methyl]-N-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide
CID 25182726
1-[(3-fluorophenyl)methyl]-3-methylpyrrolo[3,2-b]pyridine-2-carboxamide
CID 141316423
4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 160918189
1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 172909122
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
9-[(3-bromophenyl)methyl]-6-fluorocarbazole-4-carboxamide
CID 174417549
methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-3-hydroxyindole-2-carboxylate
CID 146173969
1-[(3-fluorophenyl)methyl]-3-methylindole-2-carboxamide;1-[(3-fluorophenyl)methyl]-6-(trifluoromethyl)indole-2-carboxylic acid
CID 158253261
1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide
CID 24953069
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide
CID 88919955
[4-[2-carbamoyl-1-[(3-fluorophenyl)methyl]indol-4-yl]piperidin-1-yl]-methylborinic acid
CID 59344916

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide (CID 66905088) is 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide is NC(=O)c1c(N2C=Cn3c(nc4c3NCCC4=O)C2)c2cc(F)ccc2n1Cc1cccc(F)c1.
What is the InChIKey of 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide?
The InChIKey is JHKPGIRIIBYVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c26-15-3-1-2-14(10-15)12-33-18-5-4-16(27)11-17(18)22(23(33)24(28)35)31-8-9-32-20(13-31)30-21-19(34)6-7-29-25(21)32/h1-5,8-11,29H,6-7,12-13H2,(H2,28,35).
What are the key properties of 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide?
5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide has a molecular weight of 474.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3-fluorophenyl)methyl]-3-(6-oxo-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,12-trien-11-yl)indole-2-carboxamide is sourced from PubChem (CID 66905088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).