cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine

C22H32F5N5O — CID 157030723

IUPACcyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine
SMILESC1CC1.CN.O=C(CCC(F)(F)F)NCc1cnn2cc(CC3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C18H21F5N4O.C3H6.CH5N/c19-17(20)4-1-12(2-5-17)7-14-11-27-15(26-14)8-13(10-25-27)9-24-16(28)3-6-18(21,22)23;1-2-3-1;1-2/h8,10-12H,1-7,9H2,(H,24,28);1-3H2;2H2,1H3
InChIKeyVSHYLKLWIKTPOT-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.80
Rot. Bonds6

About cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine

cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine (PubChem CID 157030723) has the molecular formula C22H32F5N5O and a molecular weight of 477.52 g/mol. Its IUPAC name is cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine.

Molecular Properties

Compound Namecyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine
PubChem CID157030723
Molecular FormulaC22H32F5N5O
Molecular Weight477.52 g/mol
Exact Mass477.25
IUPAC Namecyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine
SMILESC1CC1.CN.O=C(CCC(F)(F)F)NCc1cnn2cc(CC3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C18H21F5N4O.C3H6.CH5N/c19-17(20)4-1-12(2-5-17)7-14-11-27-15(26-14)8-13(10-25-27)9-24-16(28)3-6-18(21,22)23;1-2-3-1;1-2/h8,10-12H,1-7,9H2,(H,24,28);1-3H2;2H2,1H3
InChIKeyVSHYLKLWIKTPOT-UHFFFAOYSA-N
XLogP4.80
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine?
The IUPAC name of cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine (CID 157030723) is cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine.
What is the SMILES notation for cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine?
The canonical SMILES for cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine is C1CC1.CN.O=C(CCC(F)(F)F)NCc1cnn2cc(CC3CCC(F)(F)CC3)nc2c1.
What is the InChIKey of cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine?
The InChIKey is VSHYLKLWIKTPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F5N4O.C3H6.CH5N/c19-17(20)4-1-12(2-5-17)7-14-11-27-15(26-14)8-13(10-25-27)9-24-16(28)3-6-18(21,22)23;1-2-3-1;1-2/h8,10-12H,1-7,9H2,(H,24,28);1-3H2;2H2,1H3.
What are the key properties of cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine?
cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine has a molecular weight of 477.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;methanamine is sourced from PubChem (CID 157030723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).