N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C19H19F3N4O — CID 166383905

IUPACN-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)c1cnc2n1CCCC2
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)17-13(12-5-1-2-6-14(12)25-17)8-9-23-18(27)15-11-24-16-7-3-4-10-26(15)16/h1-2,5-6,11,25H,3-4,7-10H2,(H,23,27)
InChIKeyUASSRHNGKVUPRF-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.69
Rot. Bonds4

About N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 166383905) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID166383905
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)c1cnc2n1CCCC2
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)17-13(12-5-1-2-6-14(12)25-17)8-9-23-18(27)15-11-24-16-7-3-4-10-26(15)16/h1-2,5-6,11,25H,3-4,7-10H2,(H,23,27)
InChIKeyUASSRHNGKVUPRF-UHFFFAOYSA-N
XLogP3.69
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 166383905) is N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is O=C(NCCc1c(C(F)(F)F)[nH]c2ccccc12)c1cnc2n1CCCC2.
What is the InChIKey of N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UASSRHNGKVUPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)17-13(12-5-1-2-6-14(12)25-17)8-9-23-18(27)15-11-24-16-7-3-4-10-26(15)16/h1-2,5-6,11,25H,3-4,7-10H2,(H,23,27).
What are the key properties of N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 166383905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).