N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C26H32FN7O — CID 90035617

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)c3ncc(Cc4ccccc4F)n3n2)n(C(C)(C)C)n1
InChIInChI=1S/C26H32FN7O/c1-18-13-24(34(30-18)26(2,3)4)29-23-15-20(17-32-9-11-35-12-10-32)25-28-16-21(33(25)31-23)14-19-7-5-6-8-22(19)27/h5-8,13,15-16H,9-12,14,17H2,1-4H3,(H,29,31)
InChIKeyLHEJFEWUIHJJBU-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.29
Rot. Bonds6

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 90035617) has the molecular formula C26H32FN7O and a molecular weight of 477.59 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID90035617
Molecular FormulaC26H32FN7O
Molecular Weight477.59 g/mol
Exact Mass477.27
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)c3ncc(Cc4ccccc4F)n3n2)n(C(C)(C)C)n1
InChIInChI=1S/C26H32FN7O/c1-18-13-24(34(30-18)26(2,3)4)29-23-15-20(17-32-9-11-35-12-10-32)25-28-16-21(33(25)31-23)14-19-7-5-6-8-22(19)27/h5-8,13,15-16H,9-12,14,17H2,1-4H3,(H,29,31)
InChIKeyLHEJFEWUIHJJBU-UHFFFAOYSA-N
XLogP4.29
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 90035617) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Cc1cc(Nc2cc(CN3CCOCC3)c3ncc(Cc4ccccc4F)n3n2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is LHEJFEWUIHJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O/c1-18-13-24(34(30-18)26(2,3)4)29-23-15-20(17-32-9-11-35-12-10-32)25-28-16-21(33(25)31-23)14-19-7-5-6-8-22(19)27/h5-8,13,15-16H,9-12,14,17H2,1-4H3,(H,29,31).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 477.59 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-[(2-fluorophenyl)methyl]-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90035617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).