3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

C24H24FN5O — CID 166185368

IUPAC3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
SMILESCc1nc2n(n1)CC(NC(=O)CCc1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2
InChIInChI=1S/C24H24FN5O/c1-15-26-22-12-10-18(14-30(22)29-15)27-23(31)13-11-20-19-4-2-3-5-21(19)28-24(20)16-6-8-17(25)9-7-16/h2-9,18,28H,10-14H2,1H3,(H,27,31)
InChIKeyBNQQWVLEAJAZBU-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.94
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide (PubChem CID 166185368) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
PubChem CID166185368
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide
SMILESCc1nc2n(n1)CC(NC(=O)CCc1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2
InChIInChI=1S/C24H24FN5O/c1-15-26-22-12-10-18(14-30(22)29-15)27-23(31)13-11-20-19-4-2-3-5-21(19)28-24(20)16-6-8-17(25)9-7-16/h2-9,18,28H,10-14H2,1H3,(H,27,31)
InChIKeyBNQQWVLEAJAZBU-UHFFFAOYSA-N
XLogP3.94
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide (CID 166185368) is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide is Cc1nc2n(n1)CC(NC(=O)CCc1c(-c3ccc(F)cc3)[nH]c3ccccc13)CC2.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide?
The InChIKey is BNQQWVLEAJAZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-15-26-22-12-10-18(14-30(22)29-15)27-23(31)13-11-20-19-4-2-3-5-21(19)28-24(20)16-6-8-17(25)9-7-16/h2-9,18,28H,10-14H2,1H3,(H,27,31).
What are the key properties of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide?
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide has a molecular weight of 417.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide is sourced from PubChem (CID 166185368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).