2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide

C19H16F3N5O — CID 156599885

IUPAC2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)18-26-15-6-3-7-24-17(15)27(18)9-8-23-16(28)10-12-11-25-14-5-2-1-4-13(12)14/h1-7,11,25H,8-10H2,(H,23,28)
InChIKeyZTUSOZXRABWLRR-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.29
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide

2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide (PubChem CID 156599885) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
PubChem CID156599885
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCn1c(C(F)(F)F)nc2cccnc21
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)18-26-15-6-3-7-24-17(15)27(18)9-8-23-16(28)10-12-11-25-14-5-2-1-4-13(12)14/h1-7,11,25H,8-10H2,(H,23,28)
InChIKeyZTUSOZXRABWLRR-UHFFFAOYSA-N
XLogP3.29
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 53021802
2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53004120
2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121115997
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320623
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 26443966
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53004182
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 46463836
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-(4-chlorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53019826

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide (CID 156599885) is 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCCn1c(C(F)(F)F)nc2cccnc21.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
The InChIKey is ZTUSOZXRABWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c20-19(21,22)18-26-15-6-3-7-24-17(15)27(18)9-8-23-16(28)10-12-11-25-14-5-2-1-4-13(12)14/h1-7,11,25H,8-10H2,(H,23,28).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide has a molecular weight of 387.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide is sourced from PubChem (CID 156599885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).