4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide

C24H22FN3O — CID 10643934

IUPAC4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide
SMILESO=C(CCCc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccncc1
InChIInChI=1S/C24H22FN3O/c25-20-10-8-18(9-11-20)16-28-17-19(22-5-1-2-6-23(22)28)4-3-7-24(29)27-21-12-14-26-15-13-21/h1-2,5-6,8-15,17H,3-4,7,16H2,(H,26,27,29)
InChIKeyUBQWRMCAOGLNEO-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.19
Rot. Bonds7

About 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide

4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide (PubChem CID 10643934) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide
PubChem CID10643934
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide
SMILESO=C(CCCc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccncc1
InChIInChI=1S/C24H22FN3O/c25-20-10-8-18(9-11-20)16-28-17-19(22-5-1-2-6-23(22)28)4-3-7-24(29)27-21-12-14-26-15-13-21/h1-2,5-6,8-15,17H,3-4,7,16H2,(H,26,27,29)
InChIKeyUBQWRMCAOGLNEO-UHFFFAOYSA-N
XLogP5.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide (CID 10643934) is 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide is O=C(CCCc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccncc1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide?
The InChIKey is UBQWRMCAOGLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-20-10-8-18(9-11-20)16-28-17-19(22-5-1-2-6-23(22)28)4-3-7-24(29)27-21-12-14-26-15-13-21/h1-2,5-6,8-15,17H,3-4,7,16H2,(H,26,27,29).
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide?
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide has a molecular weight of 387.46 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 10643934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).