N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide

C44H53N9O4 — CID 152861272

About N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide

N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide (PubChem CID 152861272) has the molecular formula C44H53N9O4 and a molecular weight of 771.97 g/mol. Its IUPAC name is N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide
• PubChem CID: 152861272
• Molecular Formula: C44H53N9O4
• Molecular Weight: 771.97 g/mol
• Exact Mass: 771.42
• IUPAC Name: N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide
• SMILES: Cc1cc(C[C@@H](NC(=O)N2CCC(C3=Cc4ccccc4CC3=O)CC2)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12
• InChI: InChI=1S/C44H53N9O4/c1-29-22-31(23-35-28-47-50-41(29)35)25-38(49-44(57)53-16-10-32(11-17-53)37-26-33-4-2-3-5-34(33)27-40(37)54)42(55)48-39(24-30-6-12-45-13-7-30)43(56)52-20-18-51(19-21-52)36-8-14-46-15-9-36/h2-5,8-9,14-15,22-23,26,28,30,32,38-39,45H,6-7,10-13,16-21,24-25,27H2,1H3,(H,47,50)(H,48,55)(H,49,57)/t38-,39+/m1/s1
• InChIKey: TXOTWDYMKQWTOF-RGULYWFUSA-N
• XLogP: 4.03
• TPSA: 155.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	771.97
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide?

The IUPAC name of N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide (CID 152861272) is N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide is Cc1cc(C[C@@H](NC(=O)N2CCC(C3=Cc4ccccc4CC3=O)CC2)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12.

What is the InChIKey of N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide?

The InChIKey is TXOTWDYMKQWTOF-RGULYWFUSA-N. The full InChI is InChI=1S/C44H53N9O4/c1-29-22-31(23-35-28-47-50-41(29)35)25-38(49-44(57)53-16-10-32(11-17-53)37-26-33-4-2-3-5-34(33)27-40(37)54)42(55)48-39(24-30-6-12-45-13-7-30)43(56)52-20-18-51(19-21-52)36-8-14-46-15-9-36/h2-5,8-9,14-15,22-23,26,28,30,32,38-39,45H,6-7,10-13,16-21,24-25,27H2,1H3,(H,47,50)(H,48,55)(H,49,57)/t38-,39+/m1/s1.

What are the key properties of N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide?

N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide has a molecular weight of 771.97 g/mol, XLogP of 4.03, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[[(2S)-1-oxo-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-4-(3-oxo-4H-naphthalen-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 152861272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).