(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C42H38ClF6N9O3 — CID 137456824

IUPAC(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cn2nc(Cl)ccc2n1)N1CCC(c2ccc(-c3cc4nc(C(=O)N5CCC(c6ccccc6C(F)(F)F)CC5)cn4nc3N3CCOCC3)cc2C(F)(F)F)CC1
InChIInChI=1S/C42H38ClF6N9O3/c43-35-7-8-36-50-33(23-57(36)52-35)39(59)55-15-11-26(12-16-55)29-6-5-27(21-32(29)42(47,48)49)30-22-37-51-34(24-58(37)53-38(30)54-17-19-61-20-18-54)40(60)56-13-9-25(10-14-56)28-3-1-2-4-31(28)41(44,45)46/h1-8,21-26H,9-20H2
InChIKeyLEANWYNXBYNVKH-UHFFFAOYSA-N
MW866.27 g/mol
LogP8.01
Rot. Bonds6

About (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 137456824) has the molecular formula C42H38ClF6N9O3 and a molecular weight of 866.27 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID137456824
Molecular FormulaC42H38ClF6N9O3
Molecular Weight866.27 g/mol
Exact Mass865.27
IUPAC Name(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1cn2nc(Cl)ccc2n1)N1CCC(c2ccc(-c3cc4nc(C(=O)N5CCC(c6ccccc6C(F)(F)F)CC5)cn4nc3N3CCOCC3)cc2C(F)(F)F)CC1
InChIInChI=1S/C42H38ClF6N9O3/c43-35-7-8-36-50-33(23-57(36)52-35)39(59)55-15-11-26(12-16-55)29-6-5-27(21-32(29)42(47,48)49)30-22-37-51-34(24-58(37)53-38(30)54-17-19-61-20-18-54)40(60)56-13-9-25(10-14-56)28-3-1-2-4-31(28)41(44,45)46/h1-8,21-26H,9-20H2
InChIKeyLEANWYNXBYNVKH-UHFFFAOYSA-N
XLogP8.01
TPSA113.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.27
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 137456824) is (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(c1cn2nc(Cl)ccc2n1)N1CCC(c2ccc(-c3cc4nc(C(=O)N5CCC(c6ccccc6C(F)(F)F)CC5)cn4nc3N3CCOCC3)cc2C(F)(F)F)CC1.
What is the InChIKey of (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is LEANWYNXBYNVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38ClF6N9O3/c43-35-7-8-36-50-33(23-57(36)52-35)39(59)55-15-11-26(12-16-55)29-6-5-27(21-32(29)42(47,48)49)30-22-37-51-34(24-58(37)53-38(30)54-17-19-61-20-18-54)40(60)56-13-9-25(10-14-56)28-3-1-2-4-31(28)41(44,45)46/h1-8,21-26H,9-20H2.
What are the key properties of (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 866.27 g/mol, XLogP of 8.01, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-[4-[6-morpholin-4-yl-2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-7-yl]-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 137456824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).