8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one

C19H17Cl2FN4O2 — CID 129227474

IUPAC8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn(CC(=O)N2CC(C)(F)C2)c(=O)c2c(-c3cnc(Cl)c(Cl)c3)ccn12
InChIInChI=1S/C19H17Cl2FN4O2/c1-11-7-24(8-15(27)25-9-19(2,22)10-25)18(28)16-13(3-4-26(11)16)12-5-14(20)17(21)23-6-12/h3-7H,8-10H2,1-2H3
InChIKeyLHQDSSLQVXFFJJ-UHFFFAOYSA-N
MW423.28 g/mol
LogP3.35
Rot. Bonds3

About 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one

8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one (PubChem CID 129227474) has the molecular formula C19H17Cl2FN4O2 and a molecular weight of 423.28 g/mol. Its IUPAC name is 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
PubChem CID129227474
Molecular FormulaC19H17Cl2FN4O2
Molecular Weight423.28 g/mol
Exact Mass422.07
IUPAC Name8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cn(CC(=O)N2CC(C)(F)C2)c(=O)c2c(-c3cnc(Cl)c(Cl)c3)ccn12
InChIInChI=1S/C19H17Cl2FN4O2/c1-11-7-24(8-15(27)25-9-19(2,22)10-25)18(28)16-13(3-4-26(11)16)12-5-14(20)17(21)23-6-12/h3-7H,8-10H2,1-2H3
InChIKeyLHQDSSLQVXFFJJ-UHFFFAOYSA-N
XLogP3.35
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one (CID 129227474) is 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one is Cc1cn(CC(=O)N2CC(C)(F)C2)c(=O)c2c(-c3cnc(Cl)c(Cl)c3)ccn12.
What is the InChIKey of 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LHQDSSLQVXFFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN4O2/c1-11-7-24(8-15(27)25-9-19(2,22)10-25)18(28)16-13(3-4-26(11)16)12-5-14(20)17(21)23-6-12/h3-7H,8-10H2,1-2H3.
What are the key properties of 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one?
8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 423.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,6-dichloro-3-pyridinyl)-2-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-4-methylpyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 129227474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).