3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine

C19H17ClF2N4O — CID 118310232

IUPAC3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
SMILESCc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(Cl)nc2cn1
InChIInChI=1S/C19H17ClF2N4O/c1-11-8-15-16(10-23-11)24-18(20)19(25-15)26-6-4-13(5-7-26)27-17-3-2-12(21)9-14(17)22/h2-3,8-10,13H,4-7H2,1H3
InChIKeyAMSBSWSLMBOHFX-UHFFFAOYSA-N
MW390.82 g/mol
LogP4.31
Rot. Bonds3

About 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine

3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine (PubChem CID 118310232) has the molecular formula C19H17ClF2N4O and a molecular weight of 390.82 g/mol. Its IUPAC name is 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
PubChem CID118310232
Molecular FormulaC19H17ClF2N4O
Molecular Weight390.82 g/mol
Exact Mass390.11
IUPAC Name3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
SMILESCc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(Cl)nc2cn1
InChIInChI=1S/C19H17ClF2N4O/c1-11-8-15-16(10-23-11)24-18(20)19(25-15)26-6-4-13(5-7-26)27-17-3-2-12(21)9-14(17)22/h2-3,8-10,13H,4-7H2,1H3
InChIKeyAMSBSWSLMBOHFX-UHFFFAOYSA-N
XLogP4.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine?
The IUPAC name of 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine (CID 118310232) is 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine?
The canonical SMILES for 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine is Cc1cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(Cl)nc2cn1.
What is the InChIKey of 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine?
The InChIKey is AMSBSWSLMBOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O/c1-11-8-15-16(10-23-11)24-18(20)19(25-15)26-6-4-13(5-7-26)27-17-3-2-12(21)9-14(17)22/h2-3,8-10,13H,4-7H2,1H3.
What are the key properties of 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine?
3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine has a molecular weight of 390.82 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 118310232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).