N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide

C19H17F2N7O — CID 109286726

IUPACN-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C19H17F2N7O/c20-14-3-2-13(10-15(14)21)26-18(29)16-11-25-17(12-24-16)27-6-8-28(9-7-27)19-22-4-1-5-23-19/h1-5,10-12H,6-9H2,(H,26,29)
InChIKeyVASFWWFXWNABPE-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.12
Rot. Bonds4

About N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide

N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109286726) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109286726
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC NameN-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C19H17F2N7O/c20-14-3-2-13(10-15(14)21)26-18(29)16-11-25-17(12-24-16)27-6-8-28(9-7-27)19-22-4-1-5-23-19/h1-5,10-12H,6-9H2,(H,26,29)
InChIKeyVASFWWFXWNABPE-UHFFFAOYSA-N
XLogP2.12
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
N-(3,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286623
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542787
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
N-(3,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139282
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109274695
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109273181
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109286726) is N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc(N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is VASFWWFXWNABPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c20-14-3-2-13(10-15(14)21)26-18(29)16-11-25-17(12-24-16)27-6-8-28(9-7-27)19-22-4-1-5-23-19/h1-5,10-12H,6-9H2,(H,26,29).
What are the key properties of N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide?
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109286726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).