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

C23H20Cl2F2N4O — CID 158073869

IUPAC2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride
SMILESCC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Cl)CC1.Cl
InChIInChI=1S/C23H19ClF2N4O.ClH/c1-14-7-9-30(23-17(24)4-3-8-27-23)13-16(14)20-12-28-15(11-29-20)10-21(31)22-18(25)5-2-6-19(22)26;/h2-6,8,11-12H,7,9-10,13H2,1H3;1H
InChIKeyMIVBCUPUOKMKHP-UHFFFAOYSA-N
MW477.34 g/mol
LogP5.33
Rot. Bonds5

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

2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride (PubChem CID 158073869) has the molecular formula C23H20Cl2F2N4O and a molecular weight of 477.34 g/mol. Its IUPAC name is 2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride
PubChem CID158073869
Molecular FormulaC23H20Cl2F2N4O
Molecular Weight477.34 g/mol
Exact Mass476.10
IUPAC Name2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride
SMILESCC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Cl)CC1.Cl
InChIInChI=1S/C23H19ClF2N4O.ClH/c1-14-7-9-30(23-17(24)4-3-8-27-23)13-16(14)20-12-28-15(11-29-20)10-21(31)22-18(25)5-2-6-19(22)26;/h2-6,8,11-12H,7,9-10,13H2,1H3;1H
InChIKeyMIVBCUPUOKMKHP-UHFFFAOYSA-N
XLogP5.33
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride?
The IUPAC name of 2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride (CID 158073869) is 2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride?
The canonical SMILES for 2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride is CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Cl)CC1.Cl.
What is the InChIKey of 2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride?
The InChIKey is MIVBCUPUOKMKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O.ClH/c1-14-7-9-30(23-17(24)4-3-8-27-23)13-16(14)20-12-28-15(11-29-20)10-21(31)22-18(25)5-2-6-19(22)26;/h2-6,8,11-12H,7,9-10,13H2,1H3;1H.
What are the key properties of 2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride?
2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride has a molecular weight of 477.34 g/mol, XLogP of 5.33, 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-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 158073869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).