cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide

C26H34F7N5O2 — CID 157030579

IUPACcyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESC1CC1.CC1(C(=O)NCc2cn3ncc(CNC(=O)CCC(F)(F)F)cc3n2)CC1(F)F.FC1(F)CCCCC1
InChIInChI=1S/C17H18F5N5O2.C6H10F2.C3H6/c1-15(9-16(15,18)19)14(29)24-7-11-8-27-12(26-11)4-10(6-25-27)5-23-13(28)2-3-17(20,21)22;7-6(8)4-2-1-3-5-6;1-2-3-1/h4,6,8H,2-3,5,7,9H2,1H3,(H,23,28)(H,24,29);1-5H2;1-3H2
InChIKeyYWJGBGSVRVCTCG-UHFFFAOYSA-N
MW581.58 g/mol
LogP6.11
Rot. Bonds7

About cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide

cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 157030579) has the molecular formula C26H34F7N5O2 and a molecular weight of 581.58 g/mol. Its IUPAC name is cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID157030579
Molecular FormulaC26H34F7N5O2
Molecular Weight581.58 g/mol
Exact Mass581.26
IUPAC Namecyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESC1CC1.CC1(C(=O)NCc2cn3ncc(CNC(=O)CCC(F)(F)F)cc3n2)CC1(F)F.FC1(F)CCCCC1
InChIInChI=1S/C17H18F5N5O2.C6H10F2.C3H6/c1-15(9-16(15,18)19)14(29)24-7-11-8-27-12(26-11)4-10(6-25-27)5-23-13(28)2-3-17(20,21)22;7-6(8)4-2-1-3-5-6;1-2-3-1/h4,6,8H,2-3,5,7,9H2,1H3,(H,23,28)(H,24,29);1-5H2;1-3H2
InChIKeyYWJGBGSVRVCTCG-UHFFFAOYSA-N
XLogP6.11
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.58
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide (CID 157030579) is cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide is C1CC1.CC1(C(=O)NCc2cn3ncc(CNC(=O)CCC(F)(F)F)cc3n2)CC1(F)F.FC1(F)CCCCC1.
What is the InChIKey of cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is YWJGBGSVRVCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F5N5O2.C6H10F2.C3H6/c1-15(9-16(15,18)19)14(29)24-7-11-8-27-12(26-11)4-10(6-25-27)5-23-13(28)2-3-17(20,21)22;7-6(8)4-2-1-3-5-6;1-2-3-1/h4,6,8H,2-3,5,7,9H2,1H3,(H,23,28)(H,24,29);1-5H2;1-3H2.
What are the key properties of cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide?
cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 581.58 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;1,1-difluorocyclohexane;2,2-difluoro-1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157030579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).