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

C22H29F2N5 — CID 144872477

IUPAC2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
SMILESCC(C)Nc1nc2c(nc1N1CCC(Cc3ccc(F)cc3F)CC1)CCNC2
InChIInChI=1S/C22H29F2N5/c1-14(2)26-21-22(28-19-5-8-25-13-20(19)27-21)29-9-6-15(7-10-29)11-16-3-4-17(23)12-18(16)24/h3-4,12,14-15,25H,5-11,13H2,1-2H3,(H,26,27)
InChIKeyIVGTUBHVYJQEDU-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.68
Rot. Bonds5

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

2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine (PubChem CID 144872477) has the molecular formula C22H29F2N5 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
PubChem CID144872477
Molecular FormulaC22H29F2N5
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
SMILESCC(C)Nc1nc2c(nc1N1CCC(Cc3ccc(F)cc3F)CC1)CCNC2
InChIInChI=1S/C22H29F2N5/c1-14(2)26-21-22(28-19-5-8-25-13-20(19)27-21)29-9-6-15(7-10-29)11-16-3-4-17(23)12-18(16)24/h3-4,12,14-15,25H,5-11,13H2,1-2H3,(H,26,27)
InChIKeyIVGTUBHVYJQEDU-UHFFFAOYSA-N
XLogP3.68
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine (CID 144872477) is 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine is CC(C)Nc1nc2c(nc1N1CCC(Cc3ccc(F)cc3F)CC1)CCNC2.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
The InChIKey is IVGTUBHVYJQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N5/c1-14(2)26-21-22(28-19-5-8-25-13-20(19)27-21)29-9-6-15(7-10-29)11-16-3-4-17(23)12-18(16)24/h3-4,12,14-15,25H,5-11,13H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine has a molecular weight of 401.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 144872477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).