4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol

C18H21N5O — CID 91050871

IUPAC4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cnn2c(-c3ccncc3)c(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C18H21N5O/c1-12-10-16-22-18(21-14-2-4-15(24)5-3-14)17(23(16)20-11-12)13-6-8-19-9-7-13/h6-11,14-15,21,24H,2-5H2,1H3
InChIKeyAHXFQAZTRCINNH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.82
Rot. Bonds3

About 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol

4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol (PubChem CID 91050871) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol
PubChem CID91050871
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cnn2c(-c3ccncc3)c(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C18H21N5O/c1-12-10-16-22-18(21-14-2-4-15(24)5-3-14)17(23(16)20-11-12)13-6-8-19-9-7-13/h6-11,14-15,21,24H,2-5H2,1H3
InChIKeyAHXFQAZTRCINNH-UHFFFAOYSA-N
XLogP2.82
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol (CID 91050871) is 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol is Cc1cnn2c(-c3ccncc3)c(NC3CCC(O)CC3)nc2c1.
What is the InChIKey of 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is AHXFQAZTRCINNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-10-16-22-18(21-14-2-4-15(24)5-3-14)17(23(16)20-11-12)13-6-8-19-9-7-13/h6-11,14-15,21,24H,2-5H2,1H3.
What are the key properties of 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol?
4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 323.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 91050871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).