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

C25H20F2N6O2 — CID 25182726

IUPAC5-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
SMILESO=C1CCNc2c1nc1n2C=CN(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)C1
InChIInChI=1S/C25H20F2N6O2/c26-17-3-1-2-15(10-17)13-33-19-5-4-18(27)11-16(19)12-20(33)25(35)30-31-8-9-32-22(14-31)29-23-21(34)6-7-28-24(23)32/h1-5,8-12,28H,6-7,13-14H2,(H,30,35)
InChIKeyNGTFJCRUGOOCJV-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.75
Rot. Bonds4

About 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

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 (PubChem CID 25182726) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID25182726
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Name5-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
SMILESO=C1CCNc2c1nc1n2C=CN(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)C1
InChIInChI=1S/C25H20F2N6O2/c26-17-3-1-2-15(10-17)13-33-19-5-4-18(27)11-16(19)12-20(33)25(35)30-31-8-9-32-22(14-31)29-23-21(34)6-7-28-24(23)32/h1-5,8-12,28H,6-7,13-14H2,(H,30,35)
InChIKeyNGTFJCRUGOOCJV-UHFFFAOYSA-N
XLogP3.75
TPSA84.19 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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,3,5-trien-5-yl)indole-2-carboxamide
CID 25183053
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(7-hydroxypyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846286
N-[6-(dimethylamino)-4-methyl-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 68929763
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2,7,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),3,5,7-tetraen-3-yl)indole-2-carboxamide
CID 25182888
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(4-methoxy-6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
CID 57431495
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
N-[6-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 57431491
1-[(3-fluorophenyl)methyl]-5-iodoindole-2-carboxylic acid
CID 66850442

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCNc2c1nc1n2C=CN(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)C1.
What is the InChIKey of 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?
The InChIKey is NGTFJCRUGOOCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c26-17-3-1-2-15(10-17)13-33-19-5-4-18(27)11-16(19)12-20(33)25(35)30-31-8-9-32-22(14-31)29-23-21(34)6-7-28-24(23)32/h1-5,8-12,28H,6-7,13-14H2,(H,30,35).
What are the key properties of 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?
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 has a molecular weight of 474.47 g/mol, XLogP of 3.75, 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]-N-(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 25182726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).