4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide

C39H50N10O3 — CID 142441125

About 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide

4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide (PubChem CID 142441125) has the molecular formula C39H50N10O3 and a molecular weight of 706.90 g/mol. Its IUPAC name is 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide
• PubChem CID: 142441125
• Molecular Formula: C39H50N10O3
• Molecular Weight: 706.90 g/mol
• Exact Mass: 706.41
• IUPAC Name: 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide
• SMILES: Cc1cc(CC(NC(=O)N2CCC(C3=Cc4ccccc4NC3O)CC2)C(=O)N2CCC(N3CCC(c4nncn4C)CC3)CC2)cc2cn[nH]c12
• InChI: InChI=1S/C39H50N10O3/c1-25-19-26(20-30-23-40-44-35(25)30)21-34(38(51)48-17-11-31(12-18-48)47-13-9-28(10-14-47)36-45-41-24-46(36)2)43-39(52)49-15-7-27(8-16-49)32-22-29-5-3-4-6-33(29)42-37(32)50/h3-6,19-20,22-24,27-28,31,34,37,42,50H,7-18,21H2,1-2H3,(H,40,44)(H,43,52)
• InChIKey: PVQZVNRIGHEIKX-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 147.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	706.90
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide?

The IUPAC name of 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide (CID 142441125) is 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide?

The canonical SMILES for 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide is Cc1cc(CC(NC(=O)N2CCC(C3=Cc4ccccc4NC3O)CC2)C(=O)N2CCC(N3CCC(c4nncn4C)CC3)CC2)cc2cn[nH]c12.

What is the InChIKey of 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide?

The InChIKey is PVQZVNRIGHEIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50N10O3/c1-25-19-26(20-30-23-40-44-35(25)30)21-34(38(51)48-17-11-31(12-18-48)47-13-9-28(10-14-47)36-45-41-24-46(36)2)43-39(52)49-15-7-27(8-16-49)32-22-29-5-3-4-6-33(29)42-37(32)50/h3-6,19-20,22-24,27-28,31,34,37,42,50H,7-18,21H2,1-2H3,(H,40,44)(H,43,52).

What are the key properties of 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide?

4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide has a molecular weight of 706.90 g/mol, XLogP of 4.03, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 142441125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).