(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide

C20H19FN6O — CID 56880942

IUPAC(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H](C)n3cnnn3)cc12
InChIInChI=1S/C20H19FN6O/c1-12-17-9-14(10-22-20(28)13(2)27-11-23-25-26-27)3-8-18(17)24-19(12)15-4-6-16(21)7-5-15/h3-9,11,13,24H,10H2,1-2H3,(H,22,28)/t13-/m0/s1
InChIKeyAZSZLYJYYNJGGB-ZDUSSCGKSA-N
MW378.41 g/mol
LogP3.15
Rot. Bonds5

About (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide

(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 56880942) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide
PubChem CID56880942
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H](C)n3cnnn3)cc12
InChIInChI=1S/C20H19FN6O/c1-12-17-9-14(10-22-20(28)13(2)27-11-23-25-26-27)3-8-18(17)24-19(12)15-4-6-16(21)7-5-15/h3-9,11,13,24H,10H2,1-2H3,(H,22,28)/t13-/m0/s1
InChIKeyAZSZLYJYYNJGGB-ZDUSSCGKSA-N
XLogP3.15
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide (CID 56880942) is (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide is Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)[C@H](C)n3cnnn3)cc12.
What is the InChIKey of (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is AZSZLYJYYNJGGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12-17-9-14(10-22-20(28)13(2)27-11-23-25-26-27)3-8-18(17)24-19(12)15-4-6-16(21)7-5-15/h3-9,11,13,24H,10H2,1-2H3,(H,22,28)/t13-/m0/s1.
What are the key properties of (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide?
(2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 378.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 56880942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).