2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine

C22H25F2N5O — CID 118310193

IUPAC2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine
SMILESCc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2cn1
InChIInChI=1S/C22H25F2N5O/c1-13(2)26-21-22(28-18-10-14(3)25-12-19(18)27-21)29-8-6-16(7-9-29)30-20-5-4-15(23)11-17(20)24/h4-5,10-13,16H,6-9H2,1-3H3,(H,26,27)
InChIKeyXPTXJWPEBCICKX-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.48
Rot. Bonds5

About 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine (PubChem CID 118310193) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine
PubChem CID118310193
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine
SMILESCc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2cn1
InChIInChI=1S/C22H25F2N5O/c1-13(2)26-21-22(28-18-10-14(3)25-12-19(18)27-21)29-8-6-16(7-9-29)30-20-5-4-15(23)11-17(20)24/h4-5,10-13,16H,6-9H2,1-3H3,(H,26,27)
InChIKeyXPTXJWPEBCICKX-UHFFFAOYSA-N
XLogP4.48
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine (CID 118310193) is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine is Cc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NC(C)C)nc2cn1.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine?
The InChIKey is XPTXJWPEBCICKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-13(2)26-21-22(28-18-10-14(3)25-12-19(18)27-21)29-8-6-16(7-9-29)30-20-5-4-15(23)11-17(20)24/h4-5,10-13,16H,6-9H2,1-3H3,(H,26,27).
What are the key properties of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine?
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine has a molecular weight of 413.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 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]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 118310193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).