6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine

C24H28ClN7O — CID 155547079

IUPAC6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCN(c1cc(Cl)nn2c(-c3ccc4[nH]ncc4c3)cnc12)C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H28ClN7O/c1-30(18-3-5-19(6-4-18)31-8-10-33-11-9-31)21-13-23(25)29-32-22(15-26-24(21)32)16-2-7-20-17(12-16)14-27-28-20/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28)
InChIKeyCVMCFGQRXHCVJX-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.01
Rot. Bonds4

About 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 155547079) has the molecular formula C24H28ClN7O and a molecular weight of 465.99 g/mol. Its IUPAC name is 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID155547079
Molecular FormulaC24H28ClN7O
Molecular Weight465.99 g/mol
Exact Mass465.20
IUPAC Name6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCN(c1cc(Cl)nn2c(-c3ccc4[nH]ncc4c3)cnc12)C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H28ClN7O/c1-30(18-3-5-19(6-4-18)31-8-10-33-11-9-31)21-13-23(25)29-32-22(15-26-24(21)32)16-2-7-20-17(12-16)14-27-28-20/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28)
InChIKeyCVMCFGQRXHCVJX-UHFFFAOYSA-N
XLogP4.01
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine (CID 155547079) is 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine is CN(c1cc(Cl)nn2c(-c3ccc4[nH]ncc4c3)cnc12)C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is CVMCFGQRXHCVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7O/c1-30(18-3-5-19(6-4-18)31-8-10-33-11-9-31)21-13-23(25)29-32-22(15-26-24(21)32)16-2-7-20-17(12-16)14-27-28-20/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28).
What are the key properties of 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 465.99 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1H-indazol-5-yl)-N-methyl-N-(4-morpholin-4-ylcyclohexyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 155547079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).