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

C23H32FN5O2 — CID 118159150

IUPAC2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
SMILESCOc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CN(C)CC4)CC2)c(F)c1
InChIInChI=1S/C23H32FN5O2/c1-15(2)25-22-23(27-19-9-10-28(3)14-20(19)26-22)29-11-7-16(8-12-29)31-21-6-5-17(30-4)13-18(21)24/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,25,26)
InChIKeyDFMRQAQETRMYOT-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.48
Rot. Bonds6

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

2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine (PubChem CID 118159150) has the molecular formula C23H32FN5O2 and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
PubChem CID118159150
Molecular FormulaC23H32FN5O2
Molecular Weight429.54 g/mol
Exact Mass429.25
IUPAC Name2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
SMILESCOc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CN(C)CC4)CC2)c(F)c1
InChIInChI=1S/C23H32FN5O2/c1-15(2)25-22-23(27-19-9-10-28(3)14-20(19)26-22)29-11-7-16(8-12-29)31-21-6-5-17(30-4)13-18(21)24/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,25,26)
InChIKeyDFMRQAQETRMYOT-UHFFFAOYSA-N
XLogP3.48
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?
The IUPAC name of 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine (CID 118159150) is 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?
The canonical SMILES for 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine is COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CN(C)CC4)CC2)c(F)c1.
What is the InChIKey of 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?
The InChIKey is DFMRQAQETRMYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O2/c1-15(2)25-22-23(27-19-9-10-28(3)14-20(19)26-22)29-11-7-16(8-12-29)31-21-6-5-17(30-4)13-18(21)24/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,25,26).
What are the key properties of 2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?
2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine has a molecular weight of 429.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 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]-6-methyl-N-propan-2-yl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 118159150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).