2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine

C20H21F2N5O — CID 133283565

IUPAC2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
SMILESCc1cc(C)n(-c2cncc(N3CCC(Oc4ccc(F)cc4F)CC3)n2)n1
InChIInChI=1S/C20H21F2N5O/c1-13-9-14(2)27(25-13)20-12-23-11-19(24-20)26-7-5-16(6-8-26)28-18-4-3-15(21)10-17(18)22/h3-4,9-12,16H,5-8H2,1-2H3
InChIKeyNAPPFSXRVVUDQS-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.61
Rot. Bonds4

About 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine (PubChem CID 133283565) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
PubChem CID133283565
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
SMILESCc1cc(C)n(-c2cncc(N3CCC(Oc4ccc(F)cc4F)CC3)n2)n1
InChIInChI=1S/C20H21F2N5O/c1-13-9-14(2)27(25-13)20-12-23-11-19(24-20)26-7-5-16(6-8-26)28-18-4-3-15(21)10-17(18)22/h3-4,9-12,16H,5-8H2,1-2H3
InChIKeyNAPPFSXRVVUDQS-UHFFFAOYSA-N
XLogP3.61
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine
CID 133284114
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
CID 118310232
(2-chloro-4-fluorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 133284692
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
2-(3,5-dimethylpyrazol-1-yl)-6-[4-(triazol-1-yl)piperidin-1-yl]pyrazine
CID 133455643
1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 133273937
2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine
CID 156551560
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,7,8,9-tetrahydropyrazino[2,3-c]azepin-6-yl]ethanone
CID 177311903
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133318469
ethyl 1-[5-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]cyclopropane-1-carboxylate
CID 178142731

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine (CID 133283565) is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine is Cc1cc(C)n(-c2cncc(N3CCC(Oc4ccc(F)cc4F)CC3)n2)n1.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine?
The InChIKey is NAPPFSXRVVUDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-13-9-14(2)27(25-13)20-12-23-11-19(24-20)26-7-5-16(6-8-26)28-18-4-3-15(21)10-17(18)22/h3-4,9-12,16H,5-8H2,1-2H3.
What are the key properties of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine?
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine has a molecular weight of 385.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 133283565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).