(6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

C19H16ClF3N6O — CID 129116815

IUPAC(6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCc1cnc(Cl)nc1-c1cn2c(n1)C(=O)N(Cc1cccc(C(F)(F)F)n1)[C@@H](C)C2
InChIInChI=1S/C19H16ClF3N6O/c1-10-6-24-18(20)27-15(10)13-9-28-7-11(2)29(17(30)16(28)26-13)8-12-4-3-5-14(25-12)19(21,22)23/h3-6,9,11H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyFKPJQTZDXJSOJK-NSHDSACASA-N
MW436.83 g/mol
LogP3.76
Rot. Bonds3

About (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

(6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (PubChem CID 129116815) has the molecular formula C19H16ClF3N6O and a molecular weight of 436.83 g/mol. Its IUPAC name is (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name(6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
PubChem CID129116815
Molecular FormulaC19H16ClF3N6O
Molecular Weight436.83 g/mol
Exact Mass436.10
IUPAC Name(6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
SMILESCc1cnc(Cl)nc1-c1cn2c(n1)C(=O)N(Cc1cccc(C(F)(F)F)n1)[C@@H](C)C2
InChIInChI=1S/C19H16ClF3N6O/c1-10-6-24-18(20)27-15(10)13-9-28-7-11(2)29(17(30)16(28)26-13)8-12-4-3-5-14(25-12)19(21,22)23/h3-6,9,11H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyFKPJQTZDXJSOJK-NSHDSACASA-N
XLogP3.76
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.83
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one (CID 129116815) is (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is Cc1cnc(Cl)nc1-c1cn2c(n1)C(=O)N(Cc1cccc(C(F)(F)F)n1)[C@@H](C)C2.
What is the InChIKey of (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is FKPJQTZDXJSOJK-NSHDSACASA-N. The full InChI is InChI=1S/C19H16ClF3N6O/c1-10-6-24-18(20)27-15(10)13-9-28-7-11(2)29(17(30)16(28)26-13)8-12-4-3-5-14(25-12)19(21,22)23/h3-6,9,11H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one?
(6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 436.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-chloro-5-methylpyrimidin-4-yl)-6-methyl-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129116815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).