N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide

C40H49N11O4 — CID 68683651

About N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide

N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide (PubChem CID 68683651) has the molecular formula C40H49N11O4 and a molecular weight of 747.91 g/mol. Its IUPAC name is N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide
• PubChem CID: 68683651
• Molecular Formula: C40H49N11O4
• Molecular Weight: 747.91 g/mol
• Exact Mass: 747.40
• IUPAC Name: N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide
• SMILES: Cc1cc(CC(NC(=O)N2CCC(c3cc4cccnc4[nH]c3=O)CC2)C(=O)NC(CCCCN)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12
• InChI: InChI=1S/C40H49N11O4/c1-26-21-27(22-30-25-44-48-35(26)30)23-34(46-40(55)51-15-9-28(10-16-51)32-24-29-5-4-12-43-36(29)47-37(32)52)38(53)45-33(6-2-3-11-41)39(54)50-19-17-49(18-20-50)31-7-13-42-14-8-31/h4-5,7-8,12-14,21-22,24-25,28,33-34H,2-3,6,9-11,15-20,23,41H2,1H3,(H,44,48)(H,45,53)(H,46,55)(H,43,47,52)
• InChIKey: NIGYKKHRMALYPP-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 198.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.91
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide?

The IUPAC name of N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide (CID 68683651) is N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide is Cc1cc(CC(NC(=O)N2CCC(c3cc4cccnc4[nH]c3=O)CC2)C(=O)NC(CCCCN)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12.

What is the InChIKey of N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide?

The InChIKey is NIGYKKHRMALYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N11O4/c1-26-21-27(22-30-25-44-48-35(26)30)23-34(46-40(55)51-15-9-28(10-16-51)32-24-29-5-4-12-43-36(29)47-37(32)52)38(53)45-33(6-2-3-11-41)39(54)50-19-17-49(18-20-50)31-7-13-42-14-8-31/h4-5,7-8,12-14,21-22,24-25,28,33-34H,2-3,6,9-11,15-20,23,41H2,1H3,(H,44,48)(H,45,53)(H,46,55)(H,43,47,52).

What are the key properties of N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide?

N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 747.91 g/mol, XLogP of 2.97, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-1,8-naphthyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 68683651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).