4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine

C20H22ClN7 — CID 155555756

IUPAC4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1cc(Cl)nn2c(-c3ccc4[nH]ncc4c3)cnc12)C1CCC(N)CC1
InChIInChI=1S/C20H22ClN7/c1-27(15-5-3-14(22)4-6-15)17-9-19(21)26-28-18(11-23-20(17)28)12-2-7-16-13(8-12)10-24-25-16/h2,7-11,14-15H,3-6,22H2,1H3,(H,24,25)
InChIKeyBTDFSFKNQXZQDN-UHFFFAOYSA-N
MW395.90 g/mol
LogP3.63
Rot. Bonds3

About 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine

4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 155555756) has the molecular formula C20H22ClN7 and a molecular weight of 395.90 g/mol. Its IUPAC name is 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID155555756
Molecular FormulaC20H22ClN7
Molecular Weight395.90 g/mol
Exact Mass395.16
IUPAC Name4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1cc(Cl)nn2c(-c3ccc4[nH]ncc4c3)cnc12)C1CCC(N)CC1
InChIInChI=1S/C20H22ClN7/c1-27(15-5-3-14(22)4-6-15)17-9-19(21)26-28-18(11-23-20(17)28)12-2-7-16-13(8-12)10-24-25-16/h2,7-11,14-15H,3-6,22H2,1H3,(H,24,25)
InChIKeyBTDFSFKNQXZQDN-UHFFFAOYSA-N
XLogP3.63
TPSA88.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-indazol-5-yl)-6-(oxan-4-yloxy)imidazo[1,2-b]pyridazine
CID 163429926
N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride
CID 117073123
5-(6-chloro-3-pyridinyl)-1H-indazole
CID 57355194
N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
CID 166793743
N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide
CID 129191428
azane;5-(4-propan-2-ylphenyl)-1H-indazole;dihydrochloride
CID 175178296
5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357229
6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 151426223
N-methyl-3-(1-methylindazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 166793924
5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137423754
5-(2-methyl-4-pyridinyl)-1H-indazole
CID 143158050
5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole
CID 164753269

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine (CID 155555756) is 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine is CN(c1cc(Cl)nn2c(-c3ccc4[nH]ncc4c3)cnc12)C1CCC(N)CC1.
What is the InChIKey of 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is BTDFSFKNQXZQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7/c1-27(15-5-3-14(22)4-6-15)17-9-19(21)26-28-18(11-23-20(17)28)12-2-7-16-13(8-12)10-24-25-16/h2,7-11,14-15H,3-6,22H2,1H3,(H,24,25).
What are the key properties of 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 395.90 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 155555756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).