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

C27H39F6N5O2 — CID 157030741

IUPACcyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESC1CC1.CC.FC1(F)CCCCC1.O=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)C3(F)CC3)nc2c1
InChIInChI=1S/C16H17F4N5O2.C6H10F2.C3H6.C2H6/c17-15(3-4-15)14(27)22-8-11-9-25-12(24-11)5-10(7-23-25)6-21-13(26)1-2-16(18,19)20;7-6(8)4-2-1-3-5-6;1-2-3-1;1-2/h5,7,9H,1-4,6,8H2,(H,21,26)(H,22,27);1-5H2;1-3H2;1-2H3
InChIKeyCUUDOGGCAJMGRJ-UHFFFAOYSA-N
MW579.63 g/mol
LogP6.59
Rot. Bonds7

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

cyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 157030741) has the molecular formula C27H39F6N5O2 and a molecular weight of 579.63 g/mol. Its IUPAC name is cyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-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;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID157030741
Molecular FormulaC27H39F6N5O2
Molecular Weight579.63 g/mol
Exact Mass579.30
IUPAC Namecyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESC1CC1.CC.FC1(F)CCCCC1.O=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)C3(F)CC3)nc2c1
InChIInChI=1S/C16H17F4N5O2.C6H10F2.C3H6.C2H6/c17-15(3-4-15)14(27)22-8-11-9-25-12(24-11)5-10(7-23-25)6-21-13(26)1-2-16(18,19)20;7-6(8)4-2-1-3-5-6;1-2-3-1;1-2/h5,7,9H,1-4,6,8H2,(H,21,26)(H,22,27);1-5H2;1-3H2;1-2H3
InChIKeyCUUDOGGCAJMGRJ-UHFFFAOYSA-N
XLogP6.59
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.63
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

CID 132090172
CID 132090172
CID 132090173
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CID 132090214
CID 132090214
CID 132090330
CID 132090330
CID 132110967
CID 132110967
CID 143497317
CID 143497317
CID 144737927
CID 144737927
CID 154642657
CID 154642657
CID 154642658
CID 154642658
CID 154642660
CID 154642660
CID 154642661
CID 154642661
CID 154642663
CID 154642663

Frequently Asked Questions

What is the IUPAC name of cyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-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;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide (CID 157030741) is cyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-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;ethane;1-fluoro-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;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide is C1CC1.CC.FC1(F)CCCCC1.O=C(CCC(F)(F)F)NCc1cnn2cc(CNC(=O)C3(F)CC3)nc2c1.
What is the InChIKey of cyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is CUUDOGGCAJMGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N5O2.C6H10F2.C3H6.C2H6/c17-15(3-4-15)14(27)22-8-11-9-25-12(24-11)5-10(7-23-25)6-21-13(26)1-2-16(18,19)20;7-6(8)4-2-1-3-5-6;1-2-3-1;1-2/h5,7,9H,1-4,6,8H2,(H,21,26)(H,22,27);1-5H2;1-3H2;1-2H3.
What are the key properties of cyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide?
cyclopropane;1,1-difluorocyclohexane;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 579.63 g/mol, XLogP of 6.59, 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;ethane;1-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157030741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).