3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine

C22H28FN7O2 — CID 121426179

IUPAC3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(F)c1CN1CCOCC1
InChIInChI=1S/C22H28FN7O2/c1-15-21(26-19-4-2-3-17(23)16(19)14-28-5-9-31-10-6-28)30-22(25-15)18(24)13-20(27-30)29-7-11-32-12-8-29/h2-4,13,26H,5-12,14,24H2,1H3
InChIKeyRBPFGYWBLYMGNQ-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.17
Rot. Bonds5

About 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine

3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine (PubChem CID 121426179) has the molecular formula C22H28FN7O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine.

Molecular Properties

Compound Name3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
PubChem CID121426179
Molecular FormulaC22H28FN7O2
Molecular Weight441.51 g/mol
Exact Mass441.23
IUPAC Name3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(F)c1CN1CCOCC1
InChIInChI=1S/C22H28FN7O2/c1-15-21(26-19-4-2-3-17(23)16(19)14-28-5-9-31-10-6-28)30-22(25-15)18(24)13-20(27-30)29-7-11-32-12-8-29/h2-4,13,26H,5-12,14,24H2,1H3
InChIKeyRBPFGYWBLYMGNQ-UHFFFAOYSA-N
XLogP2.17
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine?
The IUPAC name of 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine (CID 121426179) is 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine.
What is the SMILES notation for 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine?
The canonical SMILES for 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine is Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(F)c1CN1CCOCC1.
What is the InChIKey of 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine?
The InChIKey is RBPFGYWBLYMGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7O2/c1-15-21(26-19-4-2-3-17(23)16(19)14-28-5-9-31-10-6-28)30-22(25-15)18(24)13-20(27-30)29-7-11-32-12-8-29/h2-4,13,26H,5-12,14,24H2,1H3.
What are the key properties of 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine?
3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine has a molecular weight of 441.51 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine is sourced from PubChem (CID 121426179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).