6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine

C36H41Cl3N10 — CID 157389891

IUPAC6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine
SMILESClc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCCC(N)C1.NC1CCCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)C1
InChIInChI=1S/C18H20ClN5.C12H7Cl2N3.C6H14N2/c19-13-4-1-3-12(9-13)16-11-21-24-8-7-17(23-18(16)24)22-15-6-2-5-14(20)10-15;13-9-3-1-2-8(6-9)10-7-15-12-5-4-11(14)16-17(10)12;7-5-2-1-3-6(8)4-5/h1,3-4,7-9,11,14-15H,2,5-6,10,20H2,(H,22,23);1-7H;5-6H,1-4,7-8H2
InChIKeyBLWMLMGKIFZVKZ-UHFFFAOYSA-N
MW720.15 g/mol
LogP7.65
Rot. Bonds4

About 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine

6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine (PubChem CID 157389891) has the molecular formula C36H41Cl3N10 and a molecular weight of 720.15 g/mol. Its IUPAC name is 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine.

Molecular Properties

Compound Name6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine
PubChem CID157389891
Molecular FormulaC36H41Cl3N10
Molecular Weight720.15 g/mol
Exact Mass718.26
IUPAC Name6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine
SMILESClc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCCC(N)C1.NC1CCCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)C1
InChIInChI=1S/C18H20ClN5.C12H7Cl2N3.C6H14N2/c19-13-4-1-3-12(9-13)16-11-21-24-8-7-17(23-18(16)24)22-15-6-2-5-14(20)10-15;13-9-3-1-2-8(6-9)10-7-15-12-5-4-11(14)16-17(10)12;7-5-2-1-3-6(8)4-5/h1,3-4,7-9,11,14-15H,2,5-6,10,20H2,(H,22,23);1-7H;5-6H,1-4,7-8H2
InChIKeyBLWMLMGKIFZVKZ-UHFFFAOYSA-N
XLogP7.65
TPSA150.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.15
LogP ≤ 57.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 66598126
3-(3-chlorophenyl)-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane
CID 144515394
3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 123445436
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-[(1S)-1-phenylethyl]urea
CID 58628491
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline
CID 58857683
[3-[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 59662425
N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 66615220
N-(1,1-dioxothian-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 118720919
tert-butyl 3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]pyrrolidine-1-carboxylate
CID 58857733
N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816673
[(3-aminocyclohexyl)amino]-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)methanol
CID 143938801
3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine
CID 143598135

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine?
The IUPAC name of 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine (CID 157389891) is 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine.
What is the SMILES notation for 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine?
The canonical SMILES for 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine is Clc1cccc(-c2cnc3ccc(Cl)nn23)c1.NC1CCCC(N)C1.NC1CCCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)C1.
What is the InChIKey of 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine?
The InChIKey is BLWMLMGKIFZVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5.C12H7Cl2N3.C6H14N2/c19-13-4-1-3-12(9-13)16-11-21-24-8-7-17(23-18(16)24)22-15-6-2-5-14(20)10-15;13-9-3-1-2-8(6-9)10-7-15-12-5-4-11(14)16-17(10)12;7-5-2-1-3-6(8)4-5/h1,3-4,7-9,11,14-15H,2,5-6,10,20H2,(H,22,23);1-7H;5-6H,1-4,7-8H2.
What are the key properties of 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine?
6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine has a molecular weight of 720.15 g/mol, XLogP of 7.65, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chlorophenyl)imidazo[1,2-b]pyridazine;1-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,3-diamine;cyclohexane-1,3-diamine is sourced from PubChem (CID 157389891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).