5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine

C17H18F2N6O — CID 66556201

IUPAC5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
SMILESCn1cc(-c2cc3nccnc3c(OCC3CNCCC3(F)F)n2)cn1
InChIInChI=1S/C17H18F2N6O/c1-25-9-11(7-23-25)13-6-14-15(22-5-4-21-14)16(24-13)26-10-12-8-20-3-2-17(12,18)19/h4-7,9,12,20H,2-3,8,10H2,1H3
InChIKeyWFOLLQWDLJNOGD-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.05
Rot. Bonds4

About 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine

5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine (PubChem CID 66556201) has the molecular formula C17H18F2N6O and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
PubChem CID66556201
Molecular FormulaC17H18F2N6O
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
SMILESCn1cc(-c2cc3nccnc3c(OCC3CNCCC3(F)F)n2)cn1
InChIInChI=1S/C17H18F2N6O/c1-25-9-11(7-23-25)13-6-14-15(22-5-4-21-14)16(24-13)26-10-12-8-20-3-2-17(12,18)19/h4-7,9,12,20H,2-3,8,10H2,1H3
InChIKeyWFOLLQWDLJNOGD-UHFFFAOYSA-N
XLogP2.05
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine?
The IUPAC name of 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine (CID 66556201) is 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine?
The canonical SMILES for 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine is Cn1cc(-c2cc3nccnc3c(OCC3CNCCC3(F)F)n2)cn1.
What is the InChIKey of 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine?
The InChIKey is WFOLLQWDLJNOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O/c1-25-9-11(7-23-25)13-6-14-15(22-5-4-21-14)16(24-13)26-10-12-8-20-3-2-17(12,18)19/h4-7,9,12,20H,2-3,8,10H2,1H3.
What are the key properties of 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine?
5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine has a molecular weight of 360.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine is sourced from PubChem (CID 66556201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).