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

C71H73ClFN21O4 — CID 159344126

IUPAC5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
SMILESC.Cc1cnc2ccc(Cn3cc(C(=O)NCc4ccc(N)nc4C)c(C#N)n3)cc2c1.Cc1cnc2ccc(Cn3cc(C(=O)NCc4ccc(N)nc4C)c(C#N)n3)cc2c1.Cc1cnc2ccc(Cn3cc(C(=O)O)c(C#N)n3)cc2c1.Cc1nc(N)ccc1CN.Cl.[2H]CF
InChIInChI=1S/2C23H21N7O.C16H12N4O2.C7H11N3.CH3F.CH4.ClH/c2*1-14-7-18-8-16(3-5-20(18)26-10-14)12-30-13-19(21(9-24)29-30)23(31)27-11-17-4-6-22(25)28-15(17)2;1-10-4-12-5-11(2-3-14(12)18-7-10)8-20-9-13(16(21)22)15(6-17)19-20;1-5-6(4-8)2-3-7(9)10-5;1-2;;/h2*3-8,10,13H,11-12H2,1-2H3,(H2,25,28)(H,27,31);2-5,7,9H,8H2,1H3,(H,21,22);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H4;1H/i;;;;1D;;
InChIKeyQVQSSFJFYPNVDI-VOEPQHRLSA-N
MW1339.97 g/mol
LogP10.18
Rot. Bonds14

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

5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride (PubChem CID 159344126) has the molecular formula C71H73ClFN21O4 and a molecular weight of 1339.97 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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
PubChem CID159344126
Molecular FormulaC71H73ClFN21O4
Molecular Weight1339.97 g/mol
Exact Mass1338.59
IUPAC Name5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride
SMILESC.Cc1cnc2ccc(Cn3cc(C(=O)NCc4ccc(N)nc4C)c(C#N)n3)cc2c1.Cc1cnc2ccc(Cn3cc(C(=O)NCc4ccc(N)nc4C)c(C#N)n3)cc2c1.Cc1cnc2ccc(Cn3cc(C(=O)O)c(C#N)n3)cc2c1.Cc1nc(N)ccc1CN.Cl.[2H]CF
InChIInChI=1S/2C23H21N7O.C16H12N4O2.C7H11N3.CH3F.CH4.ClH/c2*1-14-7-18-8-16(3-5-20(18)26-10-14)12-30-13-19(21(9-24)29-30)23(31)27-11-17-4-6-22(25)28-15(17)2;1-10-4-12-5-11(2-3-14(12)18-7-10)8-20-9-13(16(21)22)15(6-17)19-20;1-5-6(4-8)2-3-7(9)10-5;1-2;;/h2*3-8,10,13H,11-12H2,1-2H3,(H2,25,28)(H,27,31);2-5,7,9H,8H2,1H3,(H,21,22);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H4;1H/i;;;;1D;;
InChIKeyQVQSSFJFYPNVDI-VOEPQHRLSA-N
XLogP10.18
TPSA401.75 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001339.97
LogP ≤ 510.18
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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride 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

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
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
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
lithium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylic acid;methyl 2-[(5-methylindazol-2-yl)methyl]pyridine-4-carboxylate;hydroxide;hydrochloride
CID 157187940
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

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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride (CID 159344126) is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride is C.Cc1cnc2ccc(Cn3cc(C(=O)NCc4ccc(N)nc4C)c(C#N)n3)cc2c1.Cc1cnc2ccc(Cn3cc(C(=O)NCc4ccc(N)nc4C)c(C#N)n3)cc2c1.Cc1cnc2ccc(Cn3cc(C(=O)O)c(C#N)n3)cc2c1.Cc1nc(N)ccc1CN.Cl.[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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride?
The InChIKey is QVQSSFJFYPNVDI-VOEPQHRLSA-N. The full InChI is InChI=1S/2C23H21N7O.C16H12N4O2.C7H11N3.CH3F.CH4.ClH/c2*1-14-7-18-8-16(3-5-20(18)26-10-14)12-30-13-19(21(9-24)29-30)23(31)27-11-17-4-6-22(25)28-15(17)2;1-10-4-12-5-11(2-3-14(12)18-7-10)8-20-9-13(16(21)22)15(6-17)19-20;1-5-6(4-8)2-3-7(9)10-5;1-2;;/h2*3-8,10,13H,11-12H2,1-2H3,(H2,25,28)(H,27,31);2-5,7,9H,8H2,1H3,(H,21,22);2-3H,4,8H2,1H3,(H2,9,10);1H3;1H4;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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride?
5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride has a molecular weight of 1339.97 g/mol, XLogP of 10.18, 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-methylquinolin-6-yl)methyl]pyrazole-4-carboxamide);3-cyano-1-[(3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;deuterio(fluoro)methane;methane;hydrochloride is sourced from PubChem (CID 159344126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).