cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol

C50H46F6N12O4 — CID 158057068

IUPACcyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)NC3CC3)c2)C(F)(F)F)c2ccccc21.NC1CC1.O=C(n1ccnc1)n1ccnc1
InChIInChI=1S/C22H19F3N4O2.C18H14F3N3O.C7H6N4O.C3H7N/c1-28-12-17(16-4-2-3-5-19(16)28)21(31,22(23,24)25)14-6-9-18-13(10-14)11-26-29(18)20(30)27-15-7-8-15;1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;4-3-1-2-3/h2-6,9-12,15,31H,7-8H2,1H3,(H,27,30);2-10,25H,1H3,(H,22,23);1-6H;3H,1-2,4H2
InChIKeyFKELUHBTPVZVEZ-UHFFFAOYSA-N
MW992.99 g/mol
LogP8.60
Rot. Bonds5

About cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol

cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol (PubChem CID 158057068) has the molecular formula C50H46F6N12O4 and a molecular weight of 992.99 g/mol. Its IUPAC name is cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Namecyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
PubChem CID158057068
Molecular FormulaC50H46F6N12O4
Molecular Weight992.99 g/mol
Exact Mass992.37
IUPAC Namecyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)NC3CC3)c2)C(F)(F)F)c2ccccc21.NC1CC1.O=C(n1ccnc1)n1ccnc1
InChIInChI=1S/C22H19F3N4O2.C18H14F3N3O.C7H6N4O.C3H7N/c1-28-12-17(16-4-2-3-5-19(16)28)21(31,22(23,24)25)14-6-9-18-13(10-14)11-26-29(18)20(30)27-15-7-8-15;1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;4-3-1-2-3/h2-6,9-12,15,31H,7-8H2,1H3,(H,27,30);2-10,25H,1H3,(H,22,23);1-6H;3H,1-2,4H2
InChIKeyFKELUHBTPVZVEZ-UHFFFAOYSA-N
XLogP8.60
TPSA204.65 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500992.99
LogP ≤ 58.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol with MolForge

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Related Compounds

imidazol-1-yl-{5-[2,2,2-trifluoro-1-hydroxy-1-(1-methyl-1H-indol-3-yl)ethyl]indazol-1-yl}-methanone
CID 68474641
di(imidazol-1-yl)methanone;ethanamine;1-[5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazol-1-yl]butan-1-one;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol
CID 157365179
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3H-indol-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(1H-pyrazol-4-yl)-3H-indol-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol
CID 158446942
cyclobutanol;cyclobutyl 5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylate;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol
CID 159340542
1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol
CID 159678093
potassium;propanamide;2-[3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol;hydroxide
CID 160907970
1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)indol-1-yl]methyl]phenyl]propan-2-ol
CID 161554299
di(imidazol-1-yl)methanone;ethanamine;N-ethyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-prop-2-enylindol-3-yl)ethyl]indazole-1-carboxamide;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-prop-2-enylindol-3-yl)ethanol
CID 161886963
N-cyclopentyl-N-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxylic acid
CID 162065926

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The IUPAC name of cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol (CID 158057068) is cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol.
What is the SMILES notation for cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The canonical SMILES for cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol is Cn1cc(C(O)(c2ccc3[nH]ncc3c2)C(F)(F)F)c2ccccc21.Cn1cc(C(O)(c2ccc3c(cnn3C(=O)NC3CC3)c2)C(F)(F)F)c2ccccc21.NC1CC1.O=C(n1ccnc1)n1ccnc1.
What is the InChIKey of cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
The InChIKey is FKELUHBTPVZVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2.C18H14F3N3O.C7H6N4O.C3H7N/c1-28-12-17(16-4-2-3-5-19(16)28)21(31,22(23,24)25)14-6-9-18-13(10-14)11-26-29(18)20(30)27-15-7-8-15;1-24-10-14(13-4-2-3-5-16(13)24)17(25,18(19,20)21)12-6-7-15-11(8-12)9-22-23-15;12-7(10-3-1-8-5-10)11-4-2-9-6-11;4-3-1-2-3/h2-6,9-12,15,31H,7-8H2,1H3,(H,27,30);2-10,25H,1H3,(H,22,23);1-6H;3H,1-2,4H2.
What are the key properties of cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol?
cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol has a molecular weight of 992.99 g/mol, XLogP of 8.60, 5 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;N-cyclopropyl-5-[2,2,2-trifluoro-1-hydroxy-1-(1-methylindol-3-yl)ethyl]indazole-1-carboxamide;di(imidazol-1-yl)methanone;2,2,2-trifluoro-1-(1H-indazol-5-yl)-1-(1-methylindol-3-yl)ethanol is sourced from PubChem (CID 158057068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).