N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine

C20H22N6O — CID 166793743

IUPACN-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC1(C)CC(Nc2ccc3ncc(-c4ccc5[nH]ncc5c4)n3n2)CCO1
InChIInChI=1S/C20H22N6O/c1-20(2)10-15(7-8-27-20)23-18-5-6-19-21-12-17(26(19)25-18)13-3-4-16-14(9-13)11-22-24-16/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFUMMVCXQBYCWHY-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.64
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine

N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 166793743) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID166793743
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC1(C)CC(Nc2ccc3ncc(-c4ccc5[nH]ncc5c4)n3n2)CCO1
InChIInChI=1S/C20H22N6O/c1-20(2)10-15(7-8-27-20)23-18-5-6-19-21-12-17(26(19)25-18)13-3-4-16-14(9-13)11-22-24-16/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFUMMVCXQBYCWHY-UHFFFAOYSA-N
XLogP3.64
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine (CID 166793743) is N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine is CC1(C)CC(Nc2ccc3ncc(-c4ccc5[nH]ncc5c4)n3n2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FUMMVCXQBYCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-20(2)10-15(7-8-27-20)23-18-5-6-19-21-12-17(26(19)25-18)13-3-4-16-14(9-13)11-22-24-16/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 362.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 166793743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).