[amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide

C69H63AlClF12N15O6 — CID 161329608

About [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide

[amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide (PubChem CID 161329608) has the molecular formula C69H63AlClF12N15O6 and a molecular weight of 1488.77 g/mol. Its IUPAC name is [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide.

Molecular Properties

• Compound Name: [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide
• PubChem CID: 161329608
• Molecular Formula: C69H63AlClF12N15O6
• Molecular Weight: 1488.77 g/mol
• Exact Mass: 1487.44
• IUPAC Name: [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide
• SMILES: CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C#N)cn3c2)nn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C(N)=O)cn3c2)nn1)C(F)(F)F.CCOC(=O)c1cn2cc(Cn3cc(C(O)(CC)C(F)(F)F)nn3)ccc2c1-c1ccc(F)cc1.C[Al](N)Cl
• InChI: InChI=1S/C24H22F4N4O3.C22H19F4N5O2.C22H17F4N5O.CH3.Al.ClH.H2N/c1-3-23(34,24(26,27)28)20-14-32(30-29-20)12-15-5-10-19-21(16-6-8-17(25)9-7-16)18(13-31(19)11-15)22(33)35-4-2;1-2-21(33,22(24,25)26)18-12-31(29-28-18)10-13-3-8-17-19(14-4-6-15(23)7-5-14)16(20(27)32)11-30(17)9-13;1-2-21(32,22(24,25)26)19-13-31(29-28-19)11-14-3-8-18-20(15-4-6-17(23)7-5-15)16(9-27)12-30(18)10-14;;;;/h5-11,13-14,34H,3-4,12H2,1-2H3;3-9,11-12,33H,2,10H2,1H3,(H2,27,32);3-8,10,12-13,32H,2,11H2,1H3;1H3;;1H;1H2/q;;;;+2;;-1/p-1
• InChIKey: BZZSGBVNZGRJDV-UHFFFAOYSA-M
• XLogP: 13.08
• TPSA: 285.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.77
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide?

The IUPAC name of [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide (CID 161329608) is [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide.

What is the SMILES notation for [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide?

The canonical SMILES for [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide is CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C#N)cn3c2)nn1)C(F)(F)F.CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)c(C(N)=O)cn3c2)nn1)C(F)(F)F.CCOC(=O)c1cn2cc(Cn3cc(C(O)(CC)C(F)(F)F)nn3)ccc2c1-c1ccc(F)cc1.C[Al](N)Cl.

What is the InChIKey of [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide?

The InChIKey is BZZSGBVNZGRJDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H22F4N4O3.C22H19F4N5O2.C22H17F4N5O.CH3.Al.ClH.H2N/c1-3-23(34,24(26,27)28)20-14-32(30-29-20)12-15-5-10-19-21(16-6-8-17(25)9-7-16)18(13-31(19)11-15)22(33)35-4-2;1-2-21(33,22(24,25)26)18-12-31(29-28-18)10-13-3-8-17-19(14-4-6-15(23)7-5-14)16(20(27)32)11-30(17)9-13;1-2-21(32,22(24,25)26)19-13-31(29-28-19)11-14-3-8-18-20(15-4-6-17(23)7-5-15)16(9-27)12-30(18)10-14;;;;/h5-11,13-14,34H,3-4,12H2,1-2H3;3-9,11-12,33H,2,10H2,1H3,(H2,27,32);3-8,10,12-13,32H,2,11H2,1H3;1H3;;1H;1H2/q;;;;+2;;-1/p-1.

What are the key properties of [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide?

[amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide has a molecular weight of 1488.77 g/mol, XLogP of 13.08, 18 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [amino(chloro)alumanyl]methane;ethyl 1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carbonitrile;1-(4-fluorophenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide is sourced from PubChem (CID 161329608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).