3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine

C21H25FN6O2 — CID 90038396

IUPAC3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine
SMILESCOc1ccc(OC2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c(F)c1
InChIInChI=1S/C21H25FN6O2/c1-13(2)25-20-21(27-18-12-24-23-11-17(18)26-20)28-8-6-14(7-9-28)30-19-5-4-15(29-3)10-16(19)22/h4-5,10-14H,6-9H2,1-3H3,(H,25,26)
InChIKeyRYJKNTCXWUMJQE-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.44
Rot. Bonds6

About 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine

3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine (PubChem CID 90038396) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine.

Molecular Properties

Compound Name3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine
PubChem CID90038396
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine
SMILESCOc1ccc(OC2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c(F)c1
InChIInChI=1S/C21H25FN6O2/c1-13(2)25-20-21(27-18-12-24-23-11-17(18)26-20)28-8-6-14(7-9-28)30-19-5-4-15(29-3)10-16(19)22/h4-5,10-14H,6-9H2,1-3H3,(H,25,26)
InChIKeyRYJKNTCXWUMJQE-UHFFFAOYSA-N
XLogP3.44
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-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
CID 118159259
3-fluoro-4-[1-[2-(propan-2-ylamino)pyrazino[2,3-d]pyridazin-3-yl]piperidin-4-yl]oxybenzonitrile;2,2,2-trifluoroacetic acid
CID 127024253
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-N-propan-2-ylpyrazino[2,3-d]pyridazin-3-amine
CID 90037622
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
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-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 172680077
1-[2-[4-(2,5-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
CID 177190989
3-cyano-5-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-(propan-2-ylamino)pyrazine-2-carboxylic acid
CID 118309503
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
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
CID 166635525
[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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine?
The IUPAC name of 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine (CID 90038396) is 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine.
What is the SMILES notation for 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine?
The canonical SMILES for 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine is COc1ccc(OC2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c(F)c1.
What is the InChIKey of 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine?
The InChIKey is RYJKNTCXWUMJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-13(2)25-20-21(27-18-12-24-23-11-17(18)26-20)28-8-6-14(7-9-28)30-19-5-4-15(29-3)10-16(19)22/h4-5,10-14H,6-9H2,1-3H3,(H,25,26).
What are the key properties of 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine?
3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine has a molecular weight of 412.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N-propan-2-ylpyrazino[2,3-d]pyridazin-2-amine is sourced from PubChem (CID 90038396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).