(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C18H21F3N6O — CID 166314137

IUPAC(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1cnc2n1CCCC2C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H21F3N6O/c1-12-10-22-16-13(3-2-4-27(12)16)17(28)26-7-5-25(6-8-26)15-9-14(18(19,20)21)23-11-24-15/h9-11,13H,2-8H2,1H3
InChIKeyDRNRKVUSGCAUSD-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.23
Rot. Bonds2

About (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 166314137) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID166314137
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1cnc2n1CCCC2C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H21F3N6O/c1-12-10-22-16-13(3-2-4-27(12)16)17(28)26-7-5-25(6-8-26)15-9-14(18(19,20)21)23-11-24-15/h9-11,13H,2-8H2,1H3
InChIKeyDRNRKVUSGCAUSD-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 166314137) is (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1cnc2n1CCCC2C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is DRNRKVUSGCAUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c1-12-10-22-16-13(3-2-4-27(12)16)17(28)26-7-5-25(6-8-26)15-9-14(18(19,20)21)23-11-24-15/h9-11,13H,2-8H2,1H3.
What are the key properties of (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 394.40 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 166314137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).