(2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone

C19H14Cl2N4O — CID 141386279

IUPAC(2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone
SMILESCc1nc2cnc(C3=CNCC=C3)cn2c1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl2N4O/c1-11-18(19(26)14-7-13(20)4-5-15(14)21)25-10-16(23-9-17(25)24-11)12-3-2-6-22-8-12/h2-5,7-10,22H,6H2,1H3
InChIKeyWBRCZHZWGAPTAT-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.08
Rot. Bonds3

About (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone

(2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone (PubChem CID 141386279) has the molecular formula C19H14Cl2N4O and a molecular weight of 385.25 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone
PubChem CID141386279
Molecular FormulaC19H14Cl2N4O
Molecular Weight385.25 g/mol
Exact Mass384.05
IUPAC Name(2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone
SMILESCc1nc2cnc(C3=CNCC=C3)cn2c1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl2N4O/c1-11-18(19(26)14-7-13(20)4-5-15(14)21)25-10-16(23-9-17(25)24-11)12-3-2-6-22-8-12/h2-5,7-10,22H,6H2,1H3
InChIKeyWBRCZHZWGAPTAT-UHFFFAOYSA-N
XLogP4.08
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone (CID 141386279) is (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone is Cc1nc2cnc(C3=CNCC=C3)cn2c1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone?
The InChIKey is WBRCZHZWGAPTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O/c1-11-18(19(26)14-7-13(20)4-5-15(14)21)25-10-16(23-9-17(25)24-11)12-3-2-6-22-8-12/h2-5,7-10,22H,6H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone?
(2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone has a molecular weight of 385.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[6-(1,2-dihydropyridin-5-yl)-2-methylimidazo[1,2-a]pyrazin-3-yl]methanone is sourced from PubChem (CID 141386279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).