N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine

C20H23F4N5O — CID 118159369

IUPACN-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
SMILESFc1ccc(OC2CCN(c3nc4c(nc3NCC(F)F)CNCC4)CC2)c(F)c1
InChIInChI=1S/C20H23F4N5O/c21-12-1-2-17(14(22)9-12)30-13-4-7-29(8-5-13)20-19(26-11-18(23)24)27-16-10-25-6-3-15(16)28-20/h1-2,9,13,18,25H,3-8,10-11H2,(H,26,27)
InChIKeyANHQHUJBJUZJPG-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.13
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine

N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine (PubChem CID 118159369) has the molecular formula C20H23F4N5O and a molecular weight of 425.43 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
PubChem CID118159369
Molecular FormulaC20H23F4N5O
Molecular Weight425.43 g/mol
Exact Mass425.18
IUPAC NameN-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
SMILESFc1ccc(OC2CCN(c3nc4c(nc3NCC(F)F)CNCC4)CC2)c(F)c1
InChIInChI=1S/C20H23F4N5O/c21-12-1-2-17(14(22)9-12)30-13-4-7-29(8-5-13)20-19(26-11-18(23)24)27-16-10-25-6-3-15(16)28-20/h1-2,9,13,18,25H,3-8,10-11H2,(H,26,27)
InChIKeyANHQHUJBJUZJPG-UHFFFAOYSA-N
XLogP3.13
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine (CID 118159369) is N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine is Fc1ccc(OC2CCN(c3nc4c(nc3NCC(F)F)CNCC4)CC2)c(F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
The InChIKey is ANHQHUJBJUZJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N5O/c21-12-1-2-17(14(22)9-12)30-13-4-7-29(8-5-13)20-19(26-11-18(23)24)27-16-10-25-6-3-15(16)28-20/h1-2,9,13,18,25H,3-8,10-11H2,(H,26,27).
What are the key properties of N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine has a molecular weight of 425.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 118159369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).