lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide

C61H73F9LiN19O7 — CID 159019766

IUPAClithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide
SMILESCCOC(=O)c1[nH]ncc1CN1CCN(c2ccc(C(F)(F)F)cn2)[C@H](C)C1.CO.C[C@@H]1CN(Cc2cn[nH]c2C(=O)Nc2ccncc2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CN(Cc2cn[nH]c2C(=O)O)CCN1c1ccc(C(F)(F)F)cn1.Nc1ccncc1.[Li+].[OH-]
InChIInChI=1S/C21H22F3N7O.C18H22F3N5O2.C16H18F3N5O2.C5H6N2.CH4O.Li.H2O/c1-14-12-30(8-9-31(14)18-3-2-16(11-26-18)21(22,23)24)13-15-10-27-29-19(15)20(32)28-17-4-6-25-7-5-17;1-3-28-17(27)16-13(8-23-24-16)11-25-6-7-26(12(2)10-25)15-5-4-14(9-22-15)18(19,20)21;1-10-8-23(9-11-6-21-22-14(11)15(25)26)4-5-24(10)13-3-2-12(7-20-13)16(17,18)19;6-5-1-3-7-4-2-5;1-2;;/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,27,29)(H,25,28,32);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,23,24);2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)(H,25,26);1-4H,(H2,6,7);2H,1H3;;1H2/q;;;;;+1;/p-1/t14-;12-;10-;;;;/m111..../s1
InChIKeyJTNRLLMNFGGFDC-RRXACVSCSA-M
MW1362.30 g/mol
LogP5.22
Rot. Bonds14

About lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide

lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide (PubChem CID 159019766) has the molecular formula C61H73F9LiN19O7 and a molecular weight of 1362.30 g/mol. Its IUPAC name is lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide.

Molecular Properties

Compound Namelithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide
PubChem CID159019766
Molecular FormulaC61H73F9LiN19O7
Molecular Weight1362.30 g/mol
Exact Mass1361.60
IUPAC Namelithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide
SMILESCCOC(=O)c1[nH]ncc1CN1CCN(c2ccc(C(F)(F)F)cn2)[C@H](C)C1.CO.C[C@@H]1CN(Cc2cn[nH]c2C(=O)Nc2ccncc2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CN(Cc2cn[nH]c2C(=O)O)CCN1c1ccc(C(F)(F)F)cn1.Nc1ccncc1.[Li+].[OH-]
InChIInChI=1S/C21H22F3N7O.C18H22F3N5O2.C16H18F3N5O2.C5H6N2.CH4O.Li.H2O/c1-14-12-30(8-9-31(14)18-3-2-16(11-26-18)21(22,23)24)13-15-10-27-29-19(15)20(32)28-17-4-6-25-7-5-17;1-3-28-17(27)16-13(8-23-24-16)11-25-6-7-26(12(2)10-25)15-5-4-14(9-22-15)18(19,20)21;1-10-8-23(9-11-6-21-22-14(11)15(25)26)4-5-24(10)13-3-2-12(7-20-13)16(17,18)19;6-5-1-3-7-4-2-5;1-2;;/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,27,29)(H,25,28,32);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,23,24);2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)(H,25,26);1-4H,(H2,6,7);2H,1H3;;1H2/q;;;;;+1;/p-1/t14-;12-;10-;;;;/m111..../s1
InChIKeyJTNRLLMNFGGFDC-RRXACVSCSA-M
XLogP5.22
TPSA338.88 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001362.30
LogP ≤ 55.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide 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

[1-[4-(aminomethyl)-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]-4-methylpyrazol-3-yl]methanol;2,6-dichloropyridine-4-carbonitrile;4,4-difluorocyclohexan-1-amine;ethyl 1-(6-chloro-4-cyano-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-cyano-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 157119924
Lithium;ethyl 2-methoxyimino-4-oxopentanoate;ethyl 5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate;(5-methyl-2-pyridinyl)hydrazine;5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;hydroxide
CID 159507902
lithium;alumane;ethyl (7S)-7,8-dimethyl-6-oxo-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridine-4-carboxylate;hydride;(7S)-4-(hydroxymethyl)-7,8-dimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;oxolane
CID 160041951
2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride
CID 160641913
CID 164975698
CID 164975698
3-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1H-pyrazole-5-carboxylic acid;ethyl 3-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1H-pyrazole-5-carboxylate
CID 175894478
1-[6-(4,4-Difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-3-carboxylic acid;methyl 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-3-carboxylate
CID 175894516
ethyl 5-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1-methylpyrazole-3-carboxylate;ethyl 3-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1H-pyrazole-5-carboxylate
CID 175894809
Ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate;7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carbaldehyde;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
CID 158213221
N-cyclopropyl-2-(2-methylpropanoylamino)pyridine-4-carboxamide;N-[4-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-methylpropanamide;N-[4-(hydrazinecarbonyl)-2-pyridinyl]-2-methylpropanamide;N-(2-hydroxyethyl)-2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-methyl-N-[4-(1-methylpyrazol-3-yl)-2-pyridinyl]propanamide;2-(2-methylpropanoylamino)-N-(oxolan-3-yl)pyridine-4-carboxamide;2-(2-methylpropanoylamino)-N-propan-2-ylpyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxamide;2-(2-methylpropanoylamino)pyridine-4-carboxylic acid;2-methyl-N-[4-(1H-pyrazol-5-yl)-2-pyridinyl]propanamide
CID 159904602
ethyl 1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;[1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]methanol;2-[3-(fluoromethyl)pyrazol-1-yl]-N-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 160108065
7-amino-5-methyl-8,9-dihydro-7H-pyrazino[2,3-b]azepin-6-one;3-(bromomethyl)-2-methylpyridine;ethyl 4-fluoro-1-[(2-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylate;ethyl 4-fluoro-1H-pyrazole-5-carboxylate;4-fluoro-N-(5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl)-1-[(2-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide;4-fluoro-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1-[(2-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide;4-fluoro-N-[(7R)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1-[(2-methyl-3-pyridinyl)methyl]pyrazole-3-carboxamide;4-fluoro-1-[(2-methyl-3-pyridinyl)methyl]pyrazole-3-carboxylic acid
CID 161977049

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide?
The IUPAC name of lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide (CID 159019766) is lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide.
What is the SMILES notation for lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide?
The canonical SMILES for lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide is CCOC(=O)c1[nH]ncc1CN1CCN(c2ccc(C(F)(F)F)cn2)[C@H](C)C1.CO.C[C@@H]1CN(Cc2cn[nH]c2C(=O)Nc2ccncc2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CN(Cc2cn[nH]c2C(=O)O)CCN1c1ccc(C(F)(F)F)cn1.Nc1ccncc1.[Li+].[OH-].
What is the InChIKey of lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide?
The InChIKey is JTNRLLMNFGGFDC-RRXACVSCSA-M. The full InChI is InChI=1S/C21H22F3N7O.C18H22F3N5O2.C16H18F3N5O2.C5H6N2.CH4O.Li.H2O/c1-14-12-30(8-9-31(14)18-3-2-16(11-26-18)21(22,23)24)13-15-10-27-29-19(15)20(32)28-17-4-6-25-7-5-17;1-3-28-17(27)16-13(8-23-24-16)11-25-6-7-26(12(2)10-25)15-5-4-14(9-22-15)18(19,20)21;1-10-8-23(9-11-6-21-22-14(11)15(25)26)4-5-24(10)13-3-2-12(7-20-13)16(17,18)19;6-5-1-3-7-4-2-5;1-2;;/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,27,29)(H,25,28,32);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,23,24);2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)(H,25,26);1-4H,(H2,6,7);2H,1H3;;1H2/q;;;;;+1;/p-1/t14-;12-;10-;;;;/m111..../s1.
What are the key properties of lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide?
lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide has a molecular weight of 1362.30 g/mol, XLogP of 5.22, 14 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl 4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylate;methanol;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide;pyridin-4-amine;hydroxide is sourced from PubChem (CID 159019766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).