6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide

C22H25ClF2N4O2 — CID 24857163

IUPAC6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(N2CCC(F)(F)CC2)c(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C22H25ClF2N4O2/c1-21(31,15-4-5-15)13-27-20(30)17-12-26-19(29-10-8-22(24,25)9-11-29)18(28-17)14-2-6-16(23)7-3-14/h2-3,6-7,12,15,31H,4-5,8-11,13H2,1H3,(H,27,30)/t21-/m0/s1
InChIKeyQOWIYXBJAHWNBH-NRFANRHFSA-N
MW450.92 g/mol
LogP3.92
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide

6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide (PubChem CID 24857163) has the molecular formula C22H25ClF2N4O2 and a molecular weight of 450.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide
PubChem CID24857163
Molecular FormulaC22H25ClF2N4O2
Molecular Weight450.92 g/mol
Exact Mass450.16
IUPAC Name6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(N2CCC(F)(F)CC2)c(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C22H25ClF2N4O2/c1-21(31,15-4-5-15)13-27-20(30)17-12-26-19(29-10-8-22(24,25)9-11-29)18(28-17)14-2-6-16(23)7-3-14/h2-3,6-7,12,15,31H,4-5,8-11,13H2,1H3,(H,27,30)/t21-/m0/s1
InChIKeyQOWIYXBJAHWNBH-NRFANRHFSA-N
XLogP3.92
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide (CID 24857163) is 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide is C[C@](O)(CNC(=O)c1cnc(N2CCC(F)(F)CC2)c(-c2ccc(Cl)cc2)n1)C1CC1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is QOWIYXBJAHWNBH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25ClF2N4O2/c1-21(31,15-4-5-15)13-27-20(30)17-12-26-19(29-10-8-22(24,25)9-11-29)18(28-17)14-2-6-16(23)7-3-14/h2-3,6-7,12,15,31H,4-5,8-11,13H2,1H3,(H,27,30)/t21-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide?
6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 450.92 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4,4-difluoropiperidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 24857163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).