lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate

C80H92ClLiN26O9 — CID 167663196

IUPAClithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate
SMILESC.C.CC(C)C#N.COC(=O)c1ccc(-c2nc(Cl)ncc2C)cn1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2C)cn1.Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(C(=O)C[C@@H](C)C#N)nc1.Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(C(=O)O)nc1.Nc1cnn(C2CC2)c1.O.[Li+].[OH-]
InChIInChI=1S/C21H21N7O.C18H18N6O2.C17H16N6O2.C12H10ClN3O2.C6H9N3.C4H7N.2CH4.Li.2H2O/c1-13(8-22)7-19(29)18-6-3-15(10-23-18)20-14(2)9-24-21(27-20)26-16-11-25-28(12-16)17-4-5-17;1-11-7-20-18(22-13-9-21-24(10-13)14-4-5-14)23-16(11)12-3-6-15(19-8-12)17(25)26-2;1-10-6-19-17(21-12-8-20-23(9-12)13-3-4-13)22-15(10)11-2-5-14(16(24)25)18-7-11;1-7-5-15-12(13)16-10(7)8-3-4-9(14-6-8)11(17)18-2;7-5-3-8-9(4-5)6-1-2-6;1-4(2)3-5;;;;;/h3,6,9-13,17H,4-5,7H2,1-2H3,(H,24,26,27);3,6-10,14H,4-5H2,1-2H3,(H,20,22,23);2,5-9,13H,3-4H2,1H3,(H,24,25)(H,19,21,22);3-6H,1-2H3;3-4,6H,1-2,7H2;4H,1-2H3;2*1H4;;2*1H2/q;;;;;;;;+1;;/p-1/t13-;;;;;;;;;;/m1........../s1
InChIKeyWZSZXDUNAQDOPH-ZDYBPADNSA-M
MW1604.18 g/mol
LogP11.11
Rot. Bonds20

About lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate

lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate (PubChem CID 167663196) has the molecular formula C80H92ClLiN26O9 and a molecular weight of 1604.18 g/mol. Its IUPAC name is lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate
PubChem CID167663196
Molecular FormulaC80H92ClLiN26O9
Molecular Weight1604.18 g/mol
Exact Mass1602.74
IUPAC Namelithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate
SMILESC.C.CC(C)C#N.COC(=O)c1ccc(-c2nc(Cl)ncc2C)cn1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2C)cn1.Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(C(=O)C[C@@H](C)C#N)nc1.Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(C(=O)O)nc1.Nc1cnn(C2CC2)c1.O.[Li+].[OH-]
InChIInChI=1S/C21H21N7O.C18H18N6O2.C17H16N6O2.C12H10ClN3O2.C6H9N3.C4H7N.2CH4.Li.2H2O/c1-13(8-22)7-19(29)18-6-3-15(10-23-18)20-14(2)9-24-21(27-20)26-16-11-25-28(12-16)17-4-5-17;1-11-7-20-18(22-13-9-21-24(10-13)14-4-5-14)23-16(11)12-3-6-15(19-8-12)17(25)26-2;1-10-6-19-17(21-12-8-20-23(9-12)13-3-4-13)22-15(10)11-2-5-14(16(24)25)18-7-11;1-7-5-15-12(13)16-10(7)8-3-4-9(14-6-8)11(17)18-2;7-5-3-8-9(4-5)6-1-2-6;1-4(2)3-5;;;;;/h3,6,9-13,17H,4-5,7H2,1-2H3,(H,24,26,27);3,6-10,14H,4-5H2,1-2H3,(H,20,22,23);2,5-9,13H,3-4H2,1H3,(H,24,25)(H,19,21,22);3-6H,1-2H3;3-4,6H,1-2,7H2;4H,1-2H3;2*1H4;;2*1H2/q;;;;;;;;+1;;/p-1/t13-;;;;;;;;;;/m1........../s1
InChIKeyWZSZXDUNAQDOPH-ZDYBPADNSA-M
XLogP11.11
TPSA504.12 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.18
LogP ≤ 511.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate?
The IUPAC name of lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate (CID 167663196) is lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate.
What is the SMILES notation for lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate?
The canonical SMILES for lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate is C.C.CC(C)C#N.COC(=O)c1ccc(-c2nc(Cl)ncc2C)cn1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2C)cn1.Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(C(=O)C[C@@H](C)C#N)nc1.Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(C(=O)O)nc1.Nc1cnn(C2CC2)c1.O.[Li+].[OH-].
What is the InChIKey of lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate?
The InChIKey is WZSZXDUNAQDOPH-ZDYBPADNSA-M. The full InChI is InChI=1S/C21H21N7O.C18H18N6O2.C17H16N6O2.C12H10ClN3O2.C6H9N3.C4H7N.2CH4.Li.2H2O/c1-13(8-22)7-19(29)18-6-3-15(10-23-18)20-14(2)9-24-21(27-20)26-16-11-25-28(12-16)17-4-5-17;1-11-7-20-18(22-13-9-21-24(10-13)14-4-5-14)23-16(11)12-3-6-15(19-8-12)17(25)26-2;1-10-6-19-17(21-12-8-20-23(9-12)13-3-4-13)22-15(10)11-2-5-14(16(24)25)18-7-11;1-7-5-15-12(13)16-10(7)8-3-4-9(14-6-8)11(17)18-2;7-5-3-8-9(4-5)6-1-2-6;1-4(2)3-5;;;;;/h3,6,9-13,17H,4-5,7H2,1-2H3,(H,24,26,27);3,6-10,14H,4-5H2,1-2H3,(H,20,22,23);2,5-9,13H,3-4H2,1H3,(H,24,25)(H,19,21,22);3-6H,1-2H3;3-4,6H,1-2,7H2;4H,1-2H3;2*1H4;;2*1H2/q;;;;;;;;+1;;/p-1/t13-;;;;;;;;;;/m1........../s1.
What are the key properties of lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate?
lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate has a molecular weight of 1604.18 g/mol, XLogP of 11.11, 20 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-cyclopropylpyrazol-4-amine;5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylic acid;(2R)-4-[5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-2-pyridinyl]-2-methyl-4-oxobutanenitrile;methane;methyl 5-(2-chloro-5-methylpyrimidin-4-yl)pyridine-2-carboxylate;methyl 5-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]pyridine-2-carboxylate;2-methylpropanenitrile;hydroxide;hydrate is sourced from PubChem (CID 167663196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).