2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C18H15F3N6O — CID 56740355

IUPAC2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)c1cnc(-c2ccccn2)nc1C(F)(F)F
InChIInChI=1S/C18H15F3N6O/c19-18(20,21)15-11(9-24-16(26-15)12-5-1-3-7-22-12)17(28)25-14-10-23-13-6-2-4-8-27(13)14/h1,3,5,7,9-10H,2,4,6,8H2,(H,25,28)
InChIKeyZFJHFELPJLEXSF-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.34
Rot. Bonds3

About 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 56740355) has the molecular formula C18H15F3N6O and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID56740355
Molecular FormulaC18H15F3N6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)c1cnc(-c2ccccn2)nc1C(F)(F)F
InChIInChI=1S/C18H15F3N6O/c19-18(20,21)15-11(9-24-16(26-15)12-5-1-3-7-22-12)17(28)25-14-10-23-13-6-2-4-8-27(13)14/h1,3,5,7,9-10H,2,4,6,8H2,(H,25,28)
InChIKeyZFJHFELPJLEXSF-UHFFFAOYSA-N
XLogP3.34
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 56740355) is 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(Nc1cnc2n1CCCC2)c1cnc(-c2ccccn2)nc1C(F)(F)F.
What is the InChIKey of 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is ZFJHFELPJLEXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O/c19-18(20,21)15-11(9-24-16(26-15)12-5-1-3-7-22-12)17(28)25-14-10-23-13-6-2-4-8-27(13)14/h1,3,5,7,9-10H,2,4,6,8H2,(H,25,28).
What are the key properties of 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 56740355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).