4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol

C19H21ClN4O — CID 66597976

IUPAC4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C19H21ClN4O/c1-19(25)9-7-15(8-10-19)22-17-5-6-18-21-12-16(24(18)23-17)13-3-2-4-14(20)11-13/h2-6,11-12,15,25H,7-10H2,1H3,(H,22,23)
InChIKeyGJHTYLYGUNJZOT-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.16
Rot. Bonds3

About 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol

4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol (PubChem CID 66597976) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol
PubChem CID66597976
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
InChIInChI=1S/C19H21ClN4O/c1-19(25)9-7-15(8-10-19)22-17-5-6-18-21-12-16(24(18)23-17)13-3-2-4-14(20)11-13/h2-6,11-12,15,25H,7-10H2,1H3,(H,22,23)
InChIKeyGJHTYLYGUNJZOT-UHFFFAOYSA-N
XLogP4.16
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol (CID 66597976) is 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol is CC1(O)CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.
What is the InChIKey of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol?
The InChIKey is GJHTYLYGUNJZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-19(25)9-7-15(8-10-19)22-17-5-6-18-21-12-16(24(18)23-17)13-3-2-4-14(20)11-13/h2-6,11-12,15,25H,7-10H2,1H3,(H,22,23).
What are the key properties of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol?
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol has a molecular weight of 356.86 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 66597976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).