5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride

C70H60ClF10N21O4 — CID 157474285

IUPAC5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride
SMILESCc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N.Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N.Cl.N#Cc1nn(Cc2ccc3ncc(C(F)(F)F)cc3c2)cc1C(=O)O.[2H]CF
InChIInChI=1S/2C23H18F3N7O.C16H9F3N4O2.C7H11N3.CH3F.ClH/c2*1-13-15(3-5-21(28)31-13)9-30-22(34)18-12-33(32-20(18)8-27)11-14-2-4-19-16(6-14)7-17(10-29-19)23(24,25)26;17-16(18,19)11-4-10-3-9(1-2-13(10)21-6-11)7-23-8-12(15(24)25)14(5-20)22-23;1-5-6(4-8)2-3-7(9)10-5;1-2;/h2*2-7,10,12H,9,11H2,1H3,(H2,28,31)(H,30,34);1-4,6,8H,7H2,(H,24,25);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H/i;;;;1D;
InChIKeyUTJGSJWFRRZJPC-YGJXFZMTSA-N
MW1485.83 g/mol
LogP11.68
Rot. Bonds14

About 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride

5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride (PubChem CID 157474285) has the molecular formula C70H60ClF10N21O4 and a molecular weight of 1485.83 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride
PubChem CID157474285
Molecular FormulaC70H60ClF10N21O4
Molecular Weight1485.83 g/mol
Exact Mass1484.47
IUPAC Name5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride
SMILESCc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N.Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N.Cl.N#Cc1nn(Cc2ccc3ncc(C(F)(F)F)cc3c2)cc1C(=O)O.[2H]CF
InChIInChI=1S/2C23H18F3N7O.C16H9F3N4O2.C7H11N3.CH3F.ClH/c2*1-13-15(3-5-21(28)31-13)9-30-22(34)18-12-33(32-20(18)8-27)11-14-2-4-19-16(6-14)7-17(10-29-19)23(24,25)26;17-16(18,19)11-4-10-3-9(1-2-13(10)21-6-11)7-23-8-12(15(24)25)14(5-20)22-23;1-5-6(4-8)2-3-7(9)10-5;1-2;/h2*2-7,10,12H,9,11H2,1H3,(H2,28,31)(H,30,34);1-4,6,8H,7H2,(H,24,25);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H/i;;;;1D;
InChIKeyUTJGSJWFRRZJPC-YGJXFZMTSA-N
XLogP11.68
TPSA401.75 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001485.83
LogP ≤ 511.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride with MolForge

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;deuterio(fluoro)methane
CID 157447717
dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide;6-(chloromethyl)-3-(trifluoromethyl)quinoline;ethyl 5-cyano-1H-pyrazole-4-carboxylate;ethyl 3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylate;hydride;oxido formate
CID 157884692
1-[[4-[(4-Cyanopyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;6-[(decylamino)methyl]isoquinolin-1-amine
CID 158615035
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;ethyl 5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylate;ethyl 5-cyano-1H-pyrazole-4-carboxylate;2-[6-(hydroxymethyl)-3-methylquinolin-8-yl]propan-2-ol
CID 157115428
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid;hydrochloride
CID 157137308
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide;carbanide;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylate;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-formylpyrazole-4-carboxylate;nickel
CID 157242896
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-isocyanopyrazole-5-carboxamide);5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-5-carboxylic acid;methane
CID 157260050
bis(N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide);N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide;N,N-diethylethanamine
CID 157287819
(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamine;bis(N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide);1-[(3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylic acid;methane;hydrochloride
CID 157492907
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride
CID 157729686
bis(N-[(1-aminoisoquinolin-6-yl)methyl]-1-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-3-cyanopyrazole-4-carboxamide);6-(aminomethyl)isoquinolin-1-amine;1-[[3-chloro-8-(2-hydroxypropan-2-yl)quinolin-6-yl]methyl]-3-cyanopyrazole-4-carboxylic acid;hydrochloride
CID 157892122
tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[[1-[(8-carbamoyl-3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;1-[(8-carbamoyl-3-chloroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylic acid;methane
CID 157926641

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride?
The IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride (CID 157474285) is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride is Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N.Cc1nc(N)ccc1CNC(=O)c1cn(Cc2ccc3ncc(C(F)(F)F)cc3c2)nc1C#N.Cl.N#Cc1nn(Cc2ccc3ncc(C(F)(F)F)cc3c2)cc1C(=O)O.[2H]CF.
What is the InChIKey of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride?
The InChIKey is UTJGSJWFRRZJPC-YGJXFZMTSA-N. The full InChI is InChI=1S/2C23H18F3N7O.C16H9F3N4O2.C7H11N3.CH3F.ClH/c2*1-13-15(3-5-21(28)31-13)9-30-22(34)18-12-33(32-20(18)8-27)11-14-2-4-19-16(6-14)7-17(10-29-19)23(24,25)26;17-16(18,19)11-4-10-3-9(1-2-13(10)21-6-11)7-23-8-12(15(24)25)14(5-20)22-23;1-5-6(4-8)2-3-7(9)10-5;1-2;/h2*2-7,10,12H,9,11H2,1H3,(H2,28,31)(H,30,34);1-4,6,8H,7H2,(H,24,25);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H/i;;;;1D;.
What are the key properties of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride?
5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride has a molecular weight of 1485.83 g/mol, XLogP of 11.68, 14 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxamide);3-cyano-1-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;hydrochloride is sourced from PubChem (CID 157474285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).