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

C69H75N15O9 — CID 157115428

About 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

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 (PubChem CID 157115428) has the molecular formula C69H75N15O9 and a molecular weight of 1258.45 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157115428
• Molecular Formula: C69H75N15O9
• Molecular Weight: 1258.45 g/mol
• Exact Mass: 1257.59
• IUPAC Name: 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
• SMILES: CCOC(=O)c1cn[nH]c1C#N.CCOC(=O)c1cnn(Cc2cc(C(C)(C)O)c3ncc(C)cc3c2)c1C#N.Cc1cnc2c(C(C)(C)O)cc(CO)cc2c1.Cc1cnc2c(C(C)(C)O)cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C#N)cc2c1
• InChI: InChI=1S/C27H29N7O2.C21H22N4O3.C14H17NO2.C7H7N3O2/c1-15-6-19-8-18(9-22(27(4,5)36)25(19)30-11-15)14-34-23(10-28)21(13-32-34)26(35)31-12-20-16(2)7-24(29)33-17(20)3;1-5-28-20(26)16-11-24-25(18(16)9-22)12-14-7-15-6-13(2)10-23-19(15)17(8-14)21(3,4)27;1-9-4-11-5-10(8-16)6-12(14(2,3)17)13(11)15-7-9;1-2-12-7(11)5-4-9-10-6(5)3-8/h6-9,11,13,36H,12,14H2,1-5H3,(H2,29,33)(H,31,35);6-8,10-11,27H,5,12H2,1-4H3;4-7,16-17H,8H2,1-3H3;4H,2H2,1H3,(H,9,10)
• InChIKey: AHIMLMCFDCJOKJ-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 375.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1258.45
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)c1cn[nH]c1C#N.CCOC(=O)c1cnn(Cc2cc(C(C)(C)O)c3ncc(C)cc3c2)c1C#N.Cc1cnc2c(C(C)(C)O)cc(CO)cc2c1.Cc1cnc2c(C(C)(C)O)cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C#N)cc2c1.

What is the InChIKey of 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?

The InChIKey is AHIMLMCFDCJOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2.C21H22N4O3.C14H17NO2.C7H7N3O2/c1-15-6-19-8-18(9-22(27(4,5)36)25(19)30-11-15)14-34-23(10-28)21(13-32-34)26(35)31-12-20-16(2)7-24(29)33-17(20)3;1-5-28-20(26)16-11-24-25(18(16)9-22)12-14-7-15-6-13(2)10-23-19(15)17(8-14)21(3,4)27;1-9-4-11-5-10(8-16)6-12(14(2,3)17)13(11)15-7-9;1-2-12-7(11)5-4-9-10-6(5)3-8/h6-9,11,13,36H,12,14H2,1-5H3,(H2,29,33)(H,31,35);6-8,10-11,27H,5,12H2,1-4H3;4-7,16-17H,8H2,1-3H3;4H,2H2,1H3,(H,9,10).

What are the key properties of 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?

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 has a molecular weight of 1258.45 g/mol, XLogP of 9.20, 15 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157115428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).