7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C19H18ClN5O — CID 122604211

IUPAC7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cccc(CN2CCn3cc(-c4nc(Cl)ncc4C)cc3C2=O)n1
InChIInChI=1S/C19H18ClN5O/c1-12-9-21-19(20)23-17(12)14-8-16-18(26)25(7-6-24(16)10-14)11-15-5-3-4-13(2)22-15/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyXHLRLDGTNWMUII-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.27
Rot. Bonds3

About 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 122604211) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID122604211
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cccc(CN2CCn3cc(-c4nc(Cl)ncc4C)cc3C2=O)n1
InChIInChI=1S/C19H18ClN5O/c1-12-9-21-19(20)23-17(12)14-8-16-18(26)25(7-6-24(16)10-14)11-15-5-3-4-13(2)22-15/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyXHLRLDGTNWMUII-UHFFFAOYSA-N
XLogP3.27
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 122604211) is 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is Cc1cccc(CN2CCn3cc(-c4nc(Cl)ncc4C)cc3C2=O)n1.
What is the InChIKey of 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is XHLRLDGTNWMUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-9-21-19(20)23-17(12)14-8-16-18(26)25(7-6-24(16)10-14)11-15-5-3-4-13(2)22-15/h3-5,8-10H,6-7,11H2,1-2H3.
What are the key properties of 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 367.84 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-methylpyrimidin-4-yl)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 122604211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).