2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

C24H30F4N6O2 — CID 118159122

IUPAC2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
SMILESCC1c2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CCN1C(=O)N(C)C
InChIInChI=1S/C24H30F4N6O2/c1-14-21-18(8-11-34(14)24(35)32(2)3)30-22(29-13-20(27)28)23(31-21)33-9-6-16(7-10-33)36-19-5-4-15(25)12-17(19)26/h4-5,12,14,16,20H,6-11,13H2,1-3H3,(H,29,30)
InChIKeyWQBBZAUSIBHYSV-UHFFFAOYSA-N
MW510.54 g/mol
LogP4.08
Rot. Bonds6

About 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide (PubChem CID 118159122) has the molecular formula C24H30F4N6O2 and a molecular weight of 510.54 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
PubChem CID118159122
Molecular FormulaC24H30F4N6O2
Molecular Weight510.54 g/mol
Exact Mass510.24
IUPAC Name2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
SMILESCC1c2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CCN1C(=O)N(C)C
InChIInChI=1S/C24H30F4N6O2/c1-14-21-18(8-11-34(14)24(35)32(2)3)30-22(29-13-20(27)28)23(31-21)33-9-6-16(7-10-33)36-19-5-4-15(25)12-17(19)26/h4-5,12,14,16,20H,6-11,13H2,1-3H3,(H,29,30)
InChIKeyWQBBZAUSIBHYSV-UHFFFAOYSA-N
XLogP4.08
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The IUPAC name of 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide (CID 118159122) is 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide is CC1c2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CCN1C(=O)N(C)C.
What is the InChIKey of 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The InChIKey is WQBBZAUSIBHYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4N6O2/c1-14-21-18(8-11-34(14)24(35)32(2)3)30-22(29-13-20(27)28)23(31-21)33-9-6-16(7-10-33)36-19-5-4-15(25)12-17(19)26/h4-5,12,14,16,20H,6-11,13H2,1-3H3,(H,29,30).
What are the key properties of 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide has a molecular weight of 510.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N,5-trimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide is sourced from PubChem (CID 118159122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).