N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide

C38H48N8O4 — CID 129073484

About N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide

N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide (PubChem CID 129073484) has the molecular formula C38H48N8O4 and a molecular weight of 680.85 g/mol. Its IUPAC name is N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
• PubChem CID: 129073484
• Molecular Formula: C38H48N8O4
• Molecular Weight: 680.85 g/mol
• Exact Mass: 680.38
• IUPAC Name: N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
• SMILES: CN[C@H](C)C(=O)N1CCC2(CC1)CCN(C(=O)[C@@H](Cc1cc(C)c3[nH]ncc3c1)NC(=O)N1CCC(c3cc4ccccc4[nH]c3=O)CC1)C2
• InChI: InChI=1S/C38H48N8O4/c1-24-18-26(19-29-22-40-43-33(24)29)20-32(36(49)46-17-12-38(23-46)10-15-44(16-11-38)35(48)25(2)39-3)42-37(50)45-13-8-27(9-14-45)30-21-28-6-4-5-7-31(28)41-34(30)47/h4-7,18-19,21-22,25,27,32,39H,8-17,20,23H2,1-3H3,(H,40,43)(H,41,47)(H,42,50)/t25-,32-/m1/s1
• InChIKey: AQTVKANZILVUPE-NLGDKJDOSA-N
• XLogP: 3.66
• TPSA: 146.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	680.85
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide?

The IUPAC name of N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide (CID 129073484) is N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide is CN[C@H](C)C(=O)N1CCC2(CC1)CCN(C(=O)[C@@H](Cc1cc(C)c3[nH]ncc3c1)NC(=O)N1CCC(c3cc4ccccc4[nH]c3=O)CC1)C2.

What is the InChIKey of N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide?

The InChIKey is AQTVKANZILVUPE-NLGDKJDOSA-N. The full InChI is InChI=1S/C38H48N8O4/c1-24-18-26(19-29-22-40-43-33(24)29)20-32(36(49)46-17-12-38(23-46)10-15-44(16-11-38)35(48)25(2)39-3)42-37(50)45-13-8-27(9-14-45)30-21-28-6-4-5-7-31(28)41-34(30)47/h4-7,18-19,21-22,25,27,32,39H,8-17,20,23H2,1-3H3,(H,40,43)(H,41,47)(H,42,50)/t25-,32-/m1/s1.

What are the key properties of N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide?

N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide has a molecular weight of 680.85 g/mol, XLogP of 3.66, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 129073484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).