2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone

C23H18Cl2F2N4O — CID 157295019

IUPAC2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone
SMILESCC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H18Cl2F2N4O/c1-13-5-6-31(23-17(25)7-14(24)9-30-23)12-16(13)20-11-28-15(10-29-20)8-21(32)22-18(26)3-2-4-19(22)27/h2-4,7,9-11H,5-6,8,12H2,1H3
InChIKeyUAJVBNHARFSHFT-UHFFFAOYSA-N
MW475.33 g/mol
LogP5.57
Rot. Bonds5

About 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone

2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone (PubChem CID 157295019) has the molecular formula C23H18Cl2F2N4O and a molecular weight of 475.33 g/mol. Its IUPAC name is 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone
PubChem CID157295019
Molecular FormulaC23H18Cl2F2N4O
Molecular Weight475.33 g/mol
Exact Mass474.08
IUPAC Name2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone
SMILESCC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H18Cl2F2N4O/c1-13-5-6-31(23-17(25)7-14(24)9-30-23)12-16(13)20-11-28-15(10-29-20)8-21(32)22-18(26)3-2-4-19(22)27/h2-4,7,9-11H,5-6,8,12H2,1H3
InChIKeyUAJVBNHARFSHFT-UHFFFAOYSA-N
XLogP5.57
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.33
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone (CID 157295019) is 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone is CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone?
The InChIKey is UAJVBNHARFSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F2N4O/c1-13-5-6-31(23-17(25)7-14(24)9-30-23)12-16(13)20-11-28-15(10-29-20)8-21(32)22-18(26)3-2-4-19(22)27/h2-4,7,9-11H,5-6,8,12H2,1H3.
What are the key properties of 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone?
2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone has a molecular weight of 475.33 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 157295019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).