lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride

C84H74AlCl3F9LiN15O11P — CID 158080500

IUPAClithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride
SMILESC1CCOC1.COC(=O)c1ccc2nn(-c3ccccc3)c(N)c2c1.COC(=O)c1ccc2nn(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)c2c1.Cn1ccc(-c2cc(C(=O)Nc3c4cc(CO)ccc4nn3-c3ccccc3)ccc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)ccc2C(F)(F)F)n1.O=P(Cl)(Cl)Cl.[AlH3].[H-].[Li+]
InChIInChI=1S/C27H20F3N5O3.C26H20F3N5O2.C15H13N3O2.C12H9F3N2O2.C4H8O.Al.Cl3OP.Li.4H/c1-34-13-12-23(32-34)19-14-16(8-10-21(19)27(28,29)30)25(36)31-24-20-15-17(26(37)38-2)9-11-22(20)33-35(24)18-6-4-3-5-7-18;1-33-12-11-23(31-33)19-14-17(8-9-21(19)26(27,28)29)25(36)30-24-20-13-16(15-35)7-10-22(20)32-34(24)18-5-3-2-4-6-18;1-20-15(19)10-7-8-13-12(9-10)14(16)18(17-13)11-5-3-2-4-6-11;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;1-2-4-5-3-1;;1-5(2,3)4;;;;;/h3-15H,1-2H3,(H,31,36);2-14,35H,15H2,1H3,(H,30,36);2-9H,16H2,1H3;2-6H,1H3,(H,18,19);1-4H2;;;;;;;/q;;;;;;;+1;;;;-1
InChIKeyDQCUAPSFAROPPC-UHFFFAOYSA-N
MW1811.85 g/mol
LogP15.41
Rot. Bonds14

About lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride

lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride (PubChem CID 158080500) has the molecular formula C84H74AlCl3F9LiN15O11P and a molecular weight of 1811.85 g/mol. Its IUPAC name is lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride.

Molecular Properties

Compound Namelithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride
PubChem CID158080500
Molecular FormulaC84H74AlCl3F9LiN15O11P
Molecular Weight1811.85 g/mol
Exact Mass1809.43
IUPAC Namelithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride
SMILESC1CCOC1.COC(=O)c1ccc2nn(-c3ccccc3)c(N)c2c1.COC(=O)c1ccc2nn(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)c2c1.Cn1ccc(-c2cc(C(=O)Nc3c4cc(CO)ccc4nn3-c3ccccc3)ccc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)ccc2C(F)(F)F)n1.O=P(Cl)(Cl)Cl.[AlH3].[H-].[Li+]
InChIInChI=1S/C27H20F3N5O3.C26H20F3N5O2.C15H13N3O2.C12H9F3N2O2.C4H8O.Al.Cl3OP.Li.4H/c1-34-13-12-23(32-34)19-14-16(8-10-21(19)27(28,29)30)25(36)31-24-20-15-17(26(37)38-2)9-11-22(20)33-35(24)18-6-4-3-5-7-18;1-33-12-11-23(31-33)19-14-17(8-9-21(19)26(27,28)29)25(36)30-24-20-13-16(15-35)7-10-22(20)32-34(24)18-5-3-2-4-6-18;1-20-15(19)10-7-8-13-12(9-10)14(16)18(17-13)11-5-3-2-4-6-11;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;1-2-4-5-3-1;;1-5(2,3)4;;;;;/h3-15H,1-2H3,(H,31,36);2-14,35H,15H2,1H3,(H,30,36);2-9H,16H2,1H3;2-6H,1H3,(H,18,19);1-4H2;;;;;;;/q;;;;;;;+1;;;;-1
InChIKeyDQCUAPSFAROPPC-UHFFFAOYSA-N
XLogP15.41
TPSA327.57 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001811.85
LogP ≤ 515.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride with MolForge

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Related Compounds

US9862707, Example 10
CID 118393886
Methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate
CID 118393994
N-[6-(1,2-dihydroxypropan-2-yl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;3-(1-methylpyrazol-3-yl)-N-(2-phenyl-6-prop-1-en-2-ylindazol-3-yl)-4-(trifluoromethyl)benzamide
CID 160297410
3-[[3-(1-Methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylic acid
CID 153968356
2-[6-Fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-[(4-methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid
CID 158217070
2-[6-Fluoro-1-[[4-[(2-fluoro-4-methylbenzoyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[5-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[6-fluoro-1-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylnaphthalene-2-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid
CID 159245905
bis(2-fluoro-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-fluoro-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid;methyl 2-fluoro-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoate
CID 165060490

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride?
The IUPAC name of lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride (CID 158080500) is lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride.
What is the SMILES notation for lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride?
The canonical SMILES for lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride is C1CCOC1.COC(=O)c1ccc2nn(-c3ccccc3)c(N)c2c1.COC(=O)c1ccc2nn(-c3ccccc3)c(NC(=O)c3ccc(C(F)(F)F)c(-c4ccn(C)n4)c3)c2c1.Cn1ccc(-c2cc(C(=O)Nc3c4cc(CO)ccc4nn3-c3ccccc3)ccc2C(F)(F)F)n1.Cn1ccc(-c2cc(C(=O)O)ccc2C(F)(F)F)n1.O=P(Cl)(Cl)Cl.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride?
The InChIKey is DQCUAPSFAROPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O3.C26H20F3N5O2.C15H13N3O2.C12H9F3N2O2.C4H8O.Al.Cl3OP.Li.4H/c1-34-13-12-23(32-34)19-14-16(8-10-21(19)27(28,29)30)25(36)31-24-20-15-17(26(37)38-2)9-11-22(20)33-35(24)18-6-4-3-5-7-18;1-33-12-11-23(31-33)19-14-17(8-9-21(19)26(27,28)29)25(36)30-24-20-13-16(15-35)7-10-22(20)32-34(24)18-5-3-2-4-6-18;1-20-15(19)10-7-8-13-12(9-10)14(16)18(17-13)11-5-3-2-4-6-11;1-17-5-4-10(16-17)8-6-7(11(18)19)2-3-9(8)12(13,14)15;1-2-4-5-3-1;;1-5(2,3)4;;;;;/h3-15H,1-2H3,(H,31,36);2-14,35H,15H2,1H3,(H,30,36);2-9H,16H2,1H3;2-6H,1H3,(H,18,19);1-4H2;;;;;;;/q;;;;;;;+1;;;;-1.
What are the key properties of lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride?
lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride has a molecular weight of 1811.85 g/mol, XLogP of 15.41, 14 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;hydride;N-[5-(hydroxymethyl)-2-phenylindazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;methyl 3-amino-2-phenylindazole-5-carboxylate;methyl 3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazole-5-carboxylate;3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;oxolane;phosphoryl trichloride is sourced from PubChem (CID 158080500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).