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;hydrochloride

C70H69ClFN21O4 — CID 163470466

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;hydrochloride
SMILESCc1cnc2ccc(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.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;1H/i;;;;1D;
InChIKeyIJTDXSURRSWSMZ-YGJXFZMTSA-N
MW1323.92 g/mol
LogP9.55
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;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;hydrochloride (PubChem CID 163470466) has the molecular formula C70H69ClFN21O4 and a molecular weight of 1323.92 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;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;hydrochloride
PubChem CID163470466
Molecular FormulaC70H69ClFN21O4
Molecular Weight1323.92 g/mol
Exact Mass1322.56
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;hydrochloride
SMILESCc1cnc2ccc(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.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;1H/i;;;;1D;
InChIKeyIJTDXSURRSWSMZ-YGJXFZMTSA-N
XLogP9.55
TPSA401.75 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001323.92
LogP ≤ 59.55
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;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

1-[[8-(aminomethyl)-3-methylquinolin-6-yl]methyl]-3-cyanopyrazole-4-carboxylic acid
CID 155129261
3-cyano-1-[(8-fluoro-3-methylquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 163703459
bis(N-[(1-aminoisoquinolin-6-yl)methyl]-1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxamide);6-(aminomethyl)isoquinolin-1-amine;1-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-3-cyanopyrazole-4-carboxylic acid;hydrochloride
CID 162055214
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
N-[(1-aminoisoquinolin-6-yl)methyl]-3-cyano-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 86344933
N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665420
6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-3-cyanopyrazol-1-yl]methyl]-3-chloroquinoline-8-carboxamide
CID 134178607
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 134177987
5-(aminomethyl)-6-methylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;bis(methyl 6-[[4-[(6-amino-2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate);hydrochloride
CID 160730229
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 138658473
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 161079698
N-[(6-amino-5-chloro-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;hydrochloride
CID 159580689

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;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;hydrochloride (CID 163470466) 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;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;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;hydrochloride is 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;hydrochloride?
The InChIKey is IJTDXSURRSWSMZ-YGJXFZMTSA-N. The full InChI is InChI=1S/2C23H21N7O.C16H12N4O2.C7H11N3.CH3F.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;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;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;hydrochloride has a molecular weight of 1323.92 g/mol, XLogP of 9.55, 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;hydrochloride is sourced from PubChem (CID 163470466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).