1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide

C26H22FN3O — CID 69130872

IUPAC1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)Nc1ccc3c(ccn3C)c1)n2Cc1cccc(F)c1
InChIInChI=1S/C26H22FN3O/c1-17-6-8-24-20(12-17)15-25(30(24)16-18-4-3-5-21(27)13-18)26(31)28-22-7-9-23-19(14-22)10-11-29(23)2/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyXISVBLDVMHXXQP-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.88
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide

1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide (PubChem CID 69130872) has the molecular formula C26H22FN3O and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
PubChem CID69130872
Molecular FormulaC26H22FN3O
Molecular Weight411.48 g/mol
Exact Mass411.17
IUPAC Name1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)Nc1ccc3c(ccn3C)c1)n2Cc1cccc(F)c1
InChIInChI=1S/C26H22FN3O/c1-17-6-8-24-20(12-17)15-25(30(24)16-18-4-3-5-21(27)13-18)26(31)28-22-7-9-23-19(14-22)10-11-29(23)2/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyXISVBLDVMHXXQP-UHFFFAOYSA-N
XLogP5.88
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-[(3-fluorophenyl)methyl]-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130889
1-[(3-fluorophenyl)methyl]-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 66845803
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
5-fluoro-1-[(3-methylphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846526
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylindole-2-carboxamide
CID 46951674
5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 91635435
5-fluoro-N-(1-methylindol-5-yl)-1-pyridin-3-ylindole-2-carboxamide
CID 25060607
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(7-hydroxypyrrolo[2,3-b]pyridin-5-yl)indole-2-carboxamide
CID 66846286
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431515
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83287983
1-[(3-fluorophenyl)methyl]-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66845888
5-fluoro-1-[(3-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 57431524

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide (CID 69130872) is 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide is Cc1ccc2c(c1)cc(C(=O)Nc1ccc3c(ccn3C)c1)n2Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide?
The InChIKey is XISVBLDVMHXXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O/c1-17-6-8-24-20(12-17)15-25(30(24)16-18-4-3-5-21(27)13-18)26(31)28-22-7-9-23-19(14-22)10-11-29(23)2/h3-15H,16H2,1-2H3,(H,28,31).
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide?
1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide is sourced from PubChem (CID 69130872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).