lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane — IUPAC name, SMILES, InChIKey & properties

Name: lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane

lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane (PubChem CID 157128540) has the molecular formula C70H73F8LiN10O4 and a molecular weight of 1277.34 g/mol. Its IUPAC name is lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane.

Molecular Properties

Compound Name	lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane
PubChem CID	157128540
Molecular Formula	C70H73F8LiN10O4
Molecular Weight	1277.34 g/mol
Exact Mass	1276.58
IUPAC Name	lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane
SMILES	C1CCOC1.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C(=O)OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C(C)(C)O)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2.[CH3-].[Li+]
InChI	InChI=1S/C33H33F4N5O.C32H29F4N5O2.C4H8O.CH3.Li/c1-5-19-8-7-9-20(6-2)29(19)42-30(23-10-11-25(32(3,4)43)28-22(23)12-14-38-28)24-18-41(15-13-27(24)40-42)31-26(34)16-21(17-39-31)33(35,36)37;1-4-18-7-6-8-19(5-2)28(18)41-29(22-9-10-23(31(42)43-3)27-21(22)11-13-37-27)24-17-40(14-12-26(24)39-41)30-25(33)15-20(16-38-30)32(34,35)36;1-2-4-5-3-1;;/h7-12,14,16-17,38,43H,5-6,13,15,18H2,1-4H3;6-11,13,15-16,37H,4-5,12,14,17H2,1-3H3;1-4H2;1H3;/q;;;-1;+1
InChIKey	OEPAKRIHPGDTHQ-UHFFFAOYSA-N
XLogP	12.79
TPSA	155.24 Å²
H-Bond Donors	3
H-Bond Acceptors	12
Rotatable Bonds	12
Heavy Atoms	93
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1277.34
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Analyze lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane?

The IUPAC name of lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane (CID 157128540) is lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane.

What is the SMILES notation for lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane?

The canonical SMILES for lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane is C1CCOC1.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C(=O)OC)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C(C)(C)O)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cc1F)CC2.[CH3-].[Li+].

What is the InChIKey of lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane?

The InChIKey is OEPAKRIHPGDTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F4N5O.C32H29F4N5O2.C4H8O.CH3.Li/c1-5-19-8-7-9-20(6-2)29(19)42-30(23-10-11-25(32(3,4)43)28-22(23)12-14-38-28)24-18-41(15-13-27(24)40-42)31-26(34)16-21(17-39-31)33(35,36)37;1-4-18-7-6-8-19(5-2)28(18)41-29(22-9-10-23(31(42)43-3)27-21(22)11-13-37-27)24-17-40(14-12-26(24)39-41)30-25(33)15-20(16-38-30)32(34,35)36;1-2-4-5-3-1;;/h7-12,14,16-17,38,43H,5-6,13,15,18H2,1-4H3;6-11,13,15-16,37H,4-5,12,14,17H2,1-3H3;1-4H2;1H3;/q;;;-1;+1.

What are the key properties of lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane?

Where does this data come from?

All data for lithium;carbanide;2-[4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]propan-2-ol;methyl 4-[2-(2,6-diethylphenyl)-5-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indole-7-carboxylate;oxolane is sourced from PubChem (CID 157128540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).