N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C35H46N10O4 — CID 163826984

About N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 163826984) has the molecular formula C35H46N10O4 and a molecular weight of 670.82 g/mol. Its IUPAC name is N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
• PubChem CID: 163826984
• Molecular Formula: C35H46N10O4
• Molecular Weight: 670.82 g/mol
• Exact Mass: 670.37
• IUPAC Name: N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
• SMILES: CN[C@@H](C)C(=O)N1CCC2(CCN(C(=O)C(Cc3cc(C)c4[nH]ncc4c3)NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)C2)CC1
• InChI: InChI=1S/C35H46N10O4/c1-22-17-24(18-25-20-38-41-29(22)25)19-27(32(47)44-16-10-35(21-44)8-14-42(15-9-35)31(46)23(2)36-3)39-33(48)43-12-6-26(7-13-43)45-28-5-4-11-37-30(28)40-34(45)49/h4-5,11,17-18,20,23,26-27,36H,6-10,12-16,19,21H2,1-3H3,(H,38,41)(H,39,48)(H,37,40,49)/t23-,27?/m0/s1
• InChIKey: OAIFHRZOMDYXMI-DCCUJTHKSA-N
• XLogP: 2.32
• TPSA: 164.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.82
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The IUPAC name of N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 163826984) is N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is CN[C@@H](C)C(=O)N1CCC2(CCN(C(=O)C(Cc3cc(C)c4[nH]ncc4c3)NC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)C2)CC1.

What is the InChIKey of N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

The InChIKey is OAIFHRZOMDYXMI-DCCUJTHKSA-N. The full InChI is InChI=1S/C35H46N10O4/c1-22-17-24(18-25-20-38-41-29(22)25)19-27(32(47)44-16-10-35(21-44)8-14-42(15-9-35)31(46)23(2)36-3)39-33(48)43-12-6-26(7-13-43)45-28-5-4-11-37-30(28)40-34(45)49/h4-5,11,17-18,20,23,26-27,36H,6-10,12-16,19,21H2,1-3H3,(H,38,41)(H,39,48)(H,37,40,49)/t23-,27?/m0/s1.

What are the key properties of N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?

N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 670.82 g/mol, XLogP of 2.32, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[8-[(2S)-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-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 163826984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).