(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone

C15H16ClN3O — CID 138045943

IUPAC(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCn3c(Cl)ccc3C2C)c1
InChIInChI=1S/C15H16ClN3O/c1-10-7-12(9-17-8-10)15(20)18-5-6-19-13(11(18)2)3-4-14(19)16/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyASBATGZDGPGIIC-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.06
Rot. Bonds1

About (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone

(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 138045943) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID138045943
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCn3c(Cl)ccc3C2C)c1
InChIInChI=1S/C15H16ClN3O/c1-10-7-12(9-17-8-10)15(20)18-5-6-19-13(11(18)2)3-4-14(19)16/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyASBATGZDGPGIIC-UHFFFAOYSA-N
XLogP3.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone (CID 138045943) is (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CCn3c(Cl)ccc3C2C)c1.
What is the InChIKey of (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is ASBATGZDGPGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-7-12(9-17-8-10)15(20)18-5-6-19-13(11(18)2)3-4-14(19)16/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone?
(6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 289.77 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 138045943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).