4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine

C24H26FN7 — CID 66549305

IUPAC4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(-c3cnc4ccc(NC5CCC(N)CC5)nn34)cc2)n1
InChIInChI=1S/C24H26FN7/c1-15-2-11-20(25)24(28-15)30-19-7-3-16(4-8-19)21-14-27-23-13-12-22(31-32(21)23)29-18-9-5-17(26)6-10-18/h2-4,7-8,11-14,17-18H,5-6,9-10,26H2,1H3,(H,28,30)(H,29,31)
InChIKeyUVDIPYVKTFVLEQ-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.66
Rot. Bonds5

About 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine

4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine (PubChem CID 66549305) has the molecular formula C24H26FN7 and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
PubChem CID66549305
Molecular FormulaC24H26FN7
Molecular Weight431.52 g/mol
Exact Mass431.22
IUPAC Name4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(-c3cnc4ccc(NC5CCC(N)CC5)nn34)cc2)n1
InChIInChI=1S/C24H26FN7/c1-15-2-11-20(25)24(28-15)30-19-7-3-16(4-8-19)21-14-27-23-13-12-22(31-32(21)23)29-18-9-5-17(26)6-10-18/h2-4,7-8,11-14,17-18H,5-6,9-10,26H2,1H3,(H,28,30)(H,29,31)
InChIKeyUVDIPYVKTFVLEQ-UHFFFAOYSA-N
XLogP4.66
TPSA93.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine (CID 66549305) is 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine is Cc1ccc(F)c(Nc2ccc(-c3cnc4ccc(NC5CCC(N)CC5)nn34)cc2)n1.
What is the InChIKey of 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The InChIKey is UVDIPYVKTFVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7/c1-15-2-11-20(25)24(28-15)30-19-7-3-16(4-8-19)21-14-27-23-13-12-22(31-32(21)23)29-18-9-5-17(26)6-10-18/h2-4,7-8,11-14,17-18H,5-6,9-10,26H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine has a molecular weight of 431.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 66549305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).