3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine

C22H28FN5O — CID 90143406

IUPAC3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)N1CCC(CNc2ccc3ncc(-c4ccc(OCF)cc4)n3n2)CC1
InChIInChI=1S/C22H28FN5O/c1-16(2)27-11-9-17(10-12-27)13-24-21-7-8-22-25-14-20(28(22)26-21)18-3-5-19(6-4-18)29-15-23/h3-8,14,16-17H,9-13,15H2,1-2H3,(H,24,26)
InChIKeyFTFIVSKRGDAIMI-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.23
Rot. Bonds7

About 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine

3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 90143406) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID90143406
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC Name3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)N1CCC(CNc2ccc3ncc(-c4ccc(OCF)cc4)n3n2)CC1
InChIInChI=1S/C22H28FN5O/c1-16(2)27-11-9-17(10-12-27)13-24-21-7-8-22-25-14-20(28(22)26-21)18-3-5-19(6-4-18)29-15-23/h3-8,14,16-17H,9-13,15H2,1-2H3,(H,24,26)
InChIKeyFTFIVSKRGDAIMI-UHFFFAOYSA-N
XLogP4.23
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 90143406) is 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine is CC(C)N1CCC(CNc2ccc3ncc(-c4ccc(OCF)cc4)n3n2)CC1.
What is the InChIKey of 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FTFIVSKRGDAIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c1-16(2)27-11-9-17(10-12-27)13-24-21-7-8-22-25-14-20(28(22)26-21)18-3-5-19(6-4-18)29-15-23/h3-8,14,16-17H,9-13,15H2,1-2H3,(H,24,26).
What are the key properties of 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 397.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(fluoromethoxy)phenyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90143406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).