2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide

C24H26F2N6O2 — CID 90038977

IUPAC2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide
SMILESCN(C)C(=O)c1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C24H26F2N6O2/c1-31(2)24(33)19-12-18-20(13-27-19)30-23(22(29-18)28-15-4-5-15)32-9-7-16(8-10-32)34-21-6-3-14(25)11-17(21)26/h3,6,11-13,15-16H,4-5,7-10H2,1-2H3,(H,28,29)
InChIKeyUDDLUEJQXZPSPI-UHFFFAOYSA-N
MW468.51 g/mol
LogP3.63
Rot. Bonds6

About 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide

2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide (PubChem CID 90038977) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide
PubChem CID90038977
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide
SMILESCN(C)C(=O)c1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C24H26F2N6O2/c1-31(2)24(33)19-12-18-20(13-27-19)30-23(22(29-18)28-15-4-5-15)32-9-7-16(8-10-32)34-21-6-3-14(25)11-17(21)26/h3,6,11-13,15-16H,4-5,7-10H2,1-2H3,(H,28,29)
InChIKeyUDDLUEJQXZPSPI-UHFFFAOYSA-N
XLogP3.63
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide (CID 90038977) is 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide is CN(C)C(=O)c1cc2nc(NC3CC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1.
What is the InChIKey of 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide?
The InChIKey is UDDLUEJQXZPSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-31(2)24(33)19-12-18-20(13-27-19)30-23(22(29-18)28-15-4-5-15)32-9-7-16(8-10-32)34-21-6-3-14(25)11-17(21)26/h3,6,11-13,15-16H,4-5,7-10H2,1-2H3,(H,28,29).
What are the key properties of 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide?
2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide is sourced from PubChem (CID 90038977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).