cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide

C27H35F5N6O4 — CID 157030557

IUPACcyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide
SMILESC1CC1.CNC(=O)c1nocc1OC.O=C(CCC(F)(F)F)NCc1cnn2cc(CC3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C18H21F5N4O.C6H8N2O3.C3H6/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;1-7-6(9)5-4(10-2)3-11-8-5;1-2-3-1/h8,10-12H,1-7,9H2,(H,24,28);3H,1-2H3,(H,7,9);1-3H2
InChIKeyPCMNEQVSUXZWFD-UHFFFAOYSA-N
MW602.61 g/mol
LogP5.27
Rot. Bonds8

About cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide

cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 157030557) has the molecular formula C27H35F5N6O4 and a molecular weight of 602.61 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;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Namecyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID157030557
Molecular FormulaC27H35F5N6O4
Molecular Weight602.61 g/mol
Exact Mass602.26
IUPAC Namecyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide
SMILESC1CC1.CNC(=O)c1nocc1OC.O=C(CCC(F)(F)F)NCc1cnn2cc(CC3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C18H21F5N4O.C6H8N2O3.C3H6/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;1-7-6(9)5-4(10-2)3-11-8-5;1-2-3-1/h8,10-12H,1-7,9H2,(H,24,28);3H,1-2H3,(H,7,9);1-3H2
InChIKeyPCMNEQVSUXZWFD-UHFFFAOYSA-N
XLogP5.27
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.61
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide with MolForge

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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;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide (CID 157030557) is cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide.
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;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide is C1CC1.CNC(=O)c1nocc1OC.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;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PCMNEQVSUXZWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F5N4O.C6H8N2O3.C3H6/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;1-7-6(9)5-4(10-2)3-11-8-5;1-2-3-1/h8,10-12H,1-7,9H2,(H,24,28);3H,1-2H3,(H,7,9);1-3H2.
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;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide?
cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 602.61 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 157030557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).