cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide

C33H48F3N7O — CID 157030634

IUPACcyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide
SMILESC1CC1.C=C(NCc1cn2ncc(CNC(=O)CC3(C(C)(C)F)CC3)cc2n1)c1ccnn1C(C)C.FC1(F)CCCCC1
InChIInChI=1S/C24H32FN7O.C6H10F2.C3H6/c1-16(2)32-20(6-9-28-32)17(3)26-14-19-15-31-21(30-19)10-18(13-29-31)12-27-22(33)11-24(7-8-24)23(4,5)25;7-6(8)4-2-1-3-5-6;1-2-3-1/h6,9-10,13,15-16,26H,3,7-8,11-12,14H2,1-2,4-5H3,(H,27,33);1-5H2;1-3H2
InChIKeySGQGTAWOFSQHQK-UHFFFAOYSA-N
MW615.79 g/mol
LogP7.56
Rot. Bonds10

About cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide

cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide (PubChem CID 157030634) has the molecular formula C33H48F3N7O and a molecular weight of 615.79 g/mol. Its IUPAC name is cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide.

Molecular Properties

Compound Namecyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide
PubChem CID157030634
Molecular FormulaC33H48F3N7O
Molecular Weight615.79 g/mol
Exact Mass615.39
IUPAC Namecyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide
SMILESC1CC1.C=C(NCc1cn2ncc(CNC(=O)CC3(C(C)(C)F)CC3)cc2n1)c1ccnn1C(C)C.FC1(F)CCCCC1
InChIInChI=1S/C24H32FN7O.C6H10F2.C3H6/c1-16(2)32-20(6-9-28-32)17(3)26-14-19-15-31-21(30-19)10-18(13-29-31)12-27-22(33)11-24(7-8-24)23(4,5)25;7-6(8)4-2-1-3-5-6;1-2-3-1/h6,9-10,13,15-16,26H,3,7-8,11-12,14H2,1-2,4-5H3,(H,27,33);1-5H2;1-3H2
InChIKeySGQGTAWOFSQHQK-UHFFFAOYSA-N
XLogP7.56
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.79
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide?
The IUPAC name of cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide (CID 157030634) is cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide.
What is the SMILES notation for cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide?
The canonical SMILES for cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide is C1CC1.C=C(NCc1cn2ncc(CNC(=O)CC3(C(C)(C)F)CC3)cc2n1)c1ccnn1C(C)C.FC1(F)CCCCC1.
What is the InChIKey of cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide?
The InChIKey is SGQGTAWOFSQHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7O.C6H10F2.C3H6/c1-16(2)32-20(6-9-28-32)17(3)26-14-19-15-31-21(30-19)10-18(13-29-31)12-27-22(33)11-24(7-8-24)23(4,5)25;7-6(8)4-2-1-3-5-6;1-2-3-1/h6,9-10,13,15-16,26H,3,7-8,11-12,14H2,1-2,4-5H3,(H,27,33);1-5H2;1-3H2.
What are the key properties of cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide?
cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide has a molecular weight of 615.79 g/mol, XLogP of 7.56, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;1,1-difluorocyclohexane;2-[1-(2-fluoropropan-2-yl)cyclopropyl]-N-[[2-[[1-(2-propan-2-ylpyrazol-3-yl)ethenylamino]methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]acetamide is sourced from PubChem (CID 157030634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).