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

C22H25F2N5O — CID 91827633

IUPAC3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C22H25F2N5O/c1-13(2)26-21-22(28-19-12-25-14(3)10-18(19)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)
InChIKeyINCGEZFRJSPDKD-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.48
Rot. Bonds5

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

3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine (PubChem CID 91827633) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
PubChem CID91827633
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C22H25F2N5O/c1-13(2)26-21-22(28-19-12-25-14(3)10-18(19)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)
InChIKeyINCGEZFRJSPDKD-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 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine (CID 91827633) is 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine is Cc1cc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1.
What is the InChIKey of 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The InChIKey is INCGEZFRJSPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c1-13(2)26-21-22(28-19-12-25-14(3)10-18(19)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 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-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 3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 91827633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).