2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine

C23H28F3N7O — CID 121426178

IUPAC2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C1CCNCC1
InChIInChI=1S/C23H28F3N7O/c1-14-21(33-22(29-14)17(27)13-19(31-33)32-9-11-34-12-10-32)30-18-4-2-3-16(23(24,25)26)20(18)15-5-7-28-8-6-15/h2-4,13,15,28,30H,5-12,27H2,1H3
InChIKeyNCDNDMUYFKRTIV-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.69
Rot. Bonds4

About 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine

2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine (PubChem CID 121426178) has the molecular formula C23H28F3N7O and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
PubChem CID121426178
Molecular FormulaC23H28F3N7O
Molecular Weight475.52 g/mol
Exact Mass475.23
IUPAC Name2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C1CCNCC1
InChIInChI=1S/C23H28F3N7O/c1-14-21(33-22(29-14)17(27)13-19(31-33)32-9-11-34-12-10-32)30-18-4-2-3-16(23(24,25)26)20(18)15-5-7-28-8-6-15/h2-4,13,15,28,30H,5-12,27H2,1H3
InChIKeyNCDNDMUYFKRTIV-UHFFFAOYSA-N
XLogP3.69
TPSA92.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine?
The IUPAC name of 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine (CID 121426178) is 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine is Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1C1CCNCC1.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine?
The InChIKey is NCDNDMUYFKRTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N7O/c1-14-21(33-22(29-14)17(27)13-19(31-33)32-9-11-34-12-10-32)30-18-4-2-3-16(23(24,25)26)20(18)15-5-7-28-8-6-15/h2-4,13,15,28,30H,5-12,27H2,1H3.
What are the key properties of 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine?
2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine has a molecular weight of 475.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine is sourced from PubChem (CID 121426178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).