6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C18H11F3N6 — CID 134202584

IUPAC6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc3ncc(C#N)n3c2)c(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H11F3N6/c1-26-10-13(11-5-6-16-23-8-12(7-22)27(16)9-11)17(25-26)14-3-2-4-15(24-14)18(19,20)21/h2-6,8-10H,1H3
InChIKeyWDVOMKUVAQPSNI-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.69
Rot. Bonds2

About 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 134202584) has the molecular formula C18H11F3N6 and a molecular weight of 368.32 g/mol. Its IUPAC name is 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID134202584
Molecular FormulaC18H11F3N6
Molecular Weight368.32 g/mol
Exact Mass368.10
IUPAC Name6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc3ncc(C#N)n3c2)c(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C18H11F3N6/c1-26-10-13(11-5-6-16-23-8-12(7-22)27(16)9-11)17(25-26)14-3-2-4-15(24-14)18(19,20)21/h2-6,8-10H,1H3
InChIKeyWDVOMKUVAQPSNI-UHFFFAOYSA-N
XLogP3.69
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 134202584) is 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is Cn1cc(-c2ccc3ncc(C#N)n3c2)c(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is WDVOMKUVAQPSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N6/c1-26-10-13(11-5-6-16-23-8-12(7-22)27(16)9-11)17(25-26)14-3-2-4-15(24-14)18(19,20)21/h2-6,8-10H,1H3.
What are the key properties of 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 368.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134202584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).