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

C22H30FN5O2 — CID 118159259

IUPAC2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
SMILESCOc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CNCC4)CC2)c(F)c1
InChIInChI=1S/C22H30FN5O2/c1-14(2)25-21-22(27-18-6-9-24-13-19(18)26-21)28-10-7-15(8-11-28)30-20-5-4-16(29-3)12-17(20)23/h4-5,12,14-15,24H,6-11,13H2,1-3H3,(H,25,26)
InChIKeyCLHAZEFERDEHAN-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.14
Rot. Bonds6

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

2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine (PubChem CID 118159259) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
PubChem CID118159259
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine
SMILESCOc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CNCC4)CC2)c(F)c1
InChIInChI=1S/C22H30FN5O2/c1-14(2)25-21-22(27-18-6-9-24-13-19(18)26-21)28-10-7-15(8-11-28)30-20-5-4-16(29-3)12-17(20)23/h4-5,12,14-15,24H,6-11,13H2,1-3H3,(H,25,26)
InChIKeyCLHAZEFERDEHAN-UHFFFAOYSA-N
XLogP3.14
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine with MolForge

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Related Compounds

2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid
CID 131734030
3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine
CID 90038396
3-fluoro-4-[1-[3-(propan-2-ylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-yl]piperidin-4-yl]oxybenzonitrile;2,2,2-trifluoroacetic acid
CID 131734026
6-benzyl-3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
CID 118159184
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
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
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxylic acid
CID 135340759
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;hydrochloride
CID 155520163
[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanesulfinate
CID 137350926
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine
CID 170794290
1-[3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155551686
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 166635525

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-methoxyphenoxy)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-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine (CID 118159259) is 2-[4-(2-fluoro-4-methoxyphenoxy)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-fluoro-4-methoxyphenoxy)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-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine is COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CNCC4)CC2)c(F)c1.
What is the InChIKey of 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
The InChIKey is CLHAZEFERDEHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-14(2)25-21-22(27-18-6-9-24-13-19(18)26-21)28-10-7-15(8-11-28)30-20-5-4-16(29-3)12-17(20)23/h4-5,12,14-15,24H,6-11,13H2,1-3H3,(H,25,26).
What are the key properties of 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine?
2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine has a molecular weight of 415.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 118159259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).