[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

C35H37N7O4 — CID 11512851

About [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate (PubChem CID 11512851) has the molecular formula C35H37N7O4 and a molecular weight of 619.73 g/mol. Its IUPAC name is [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
• PubChem CID: 11512851
• Molecular Formula: C35H37N7O4
• Molecular Weight: 619.73 g/mol
• Exact Mass: 619.29
• IUPAC Name: [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
• SMILES: Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12
• InChI: InChI=1S/C35H37N7O4/c1-23-18-24(19-27-22-37-39-32(23)27)20-31(34(44)41-16-14-40(15-17-41)28-6-10-36-11-7-28)46-35(45)42-12-8-25(9-13-42)29-21-26-4-2-3-5-30(26)38-33(29)43/h2-7,10-11,18-19,21-22,25,31H,8-9,12-17,20H2,1H3,(H,37,39)(H,38,43)/t31-/m1/s1
• InChIKey: CNDMPYBCNMZLDY-WJOKGBTCSA-N
• XLogP: 4.38
• TPSA: 127.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.73
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate?

The IUPAC name of [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate (CID 11512851) is [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate.

What is the SMILES notation for [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate?

The canonical SMILES for [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate is Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12.

What is the InChIKey of [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate?

The InChIKey is CNDMPYBCNMZLDY-WJOKGBTCSA-N. The full InChI is InChI=1S/C35H37N7O4/c1-23-18-24(19-27-22-37-39-32(23)27)20-31(34(44)41-16-14-40(15-17-41)28-6-10-36-11-7-28)46-35(45)42-12-8-25(9-13-42)29-21-26-4-2-3-5-30(26)38-33(29)43/h2-7,10-11,18-19,21-22,25,31H,8-9,12-17,20H2,1H3,(H,37,39)(H,38,43)/t31-/m1/s1.

What are the key properties of [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate?

[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate has a molecular weight of 619.73 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 11512851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).