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

C22H26F2N6 — CID 118310209

IUPAC3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC(C)C)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)
InChIKeyRWZKAEHGFIQDFV-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.75
Rot. Bonds5

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

3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine (PubChem CID 118310209) has the molecular formula C22H26F2N6 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
PubChem CID118310209
Molecular FormulaC22H26F2N6
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
SMILESCc1cc2nc(NC(C)C)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1
InChIInChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)
InChIKeyRWZKAEHGFIQDFV-UHFFFAOYSA-N
XLogP3.75
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.75
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-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The IUPAC name of 3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine (CID 118310209) is 3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine.
What is the SMILES notation for 3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The canonical SMILES for 3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine is Cc1cc2nc(NC(C)C)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc2cn1.
What is the InChIKey of 3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
The InChIKey is RWZKAEHGFIQDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27).
What are the key properties of 3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine?
3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine has a molecular weight of 412.49 g/mol, XLogP of 3.75, 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-difluorophenyl)methyl]piperazin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine is sourced from PubChem (CID 118310209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).