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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide

C35H45N9O5 — CID 129073474

IUPACN-[(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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
SMILESCN[C@H](C)C(=O)N1CCC2(CC1)CCN(C(=O)[C@@H](Cc1cc(C)c3[nH]ncc3c1)NC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)C2
InChIInChI=1S/C35H45N9O5/c1-22-17-24(18-25-20-38-41-28(22)25)19-27(31(46)44-14-8-34(21-44)6-12-42(13-7-34)30(45)23(2)36-3)39-32(47)43-15-9-35(10-16-43)26-5-4-11-37-29(26)40-33(48)49-35/h4-5,11,17-18,20,23,27,36H,6-10,12-16,19,21H2,1-3H3,(H,38,41)(H,39,47)(H,37,40,48)/t23-,27-/m1/s1
InChIKeyLMMAITXDPSBTLC-YIXXDRMTSA-N
MW671.80 g/mol
LogP2.89
Rot. Bonds6

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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide (PubChem CID 129073474) has the molecular formula C35H45N9O5 and a molecular weight of 671.80 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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
PubChem CID129073474
Molecular FormulaC35H45N9O5
Molecular Weight671.80 g/mol
Exact Mass671.35
IUPAC NameN-[(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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
SMILESCN[C@H](C)C(=O)N1CCC2(CC1)CCN(C(=O)[C@@H](Cc1cc(C)c3[nH]ncc3c1)NC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)C2
InChIInChI=1S/C35H45N9O5/c1-22-17-24(18-25-20-38-41-28(22)25)19-27(31(46)44-14-8-34(21-44)6-12-42(13-7-34)30(45)23(2)36-3)39-32(47)43-15-9-35(10-16-43)26-5-4-11-37-29(26)40-33(48)49-35/h4-5,11,17-18,20,23,27,36H,6-10,12-16,19,21H2,1-3H3,(H,38,41)(H,39,47)(H,37,40,48)/t23-,27-/m1/s1
InChIKeyLMMAITXDPSBTLC-YIXXDRMTSA-N
XLogP2.89
TPSA164.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.80
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide with MolForge

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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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide (CID 129073474) 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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide is CN[C@H](C)C(=O)N1CCC2(CC1)CCN(C(=O)[C@@H](Cc1cc(C)c3[nH]ncc3c1)NC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
The InChIKey is LMMAITXDPSBTLC-YIXXDRMTSA-N. The full InChI is InChI=1S/C35H45N9O5/c1-22-17-24(18-25-20-38-41-28(22)25)19-27(31(46)44-14-8-34(21-44)6-12-42(13-7-34)30(45)23(2)36-3)39-32(47)43-15-9-35(10-16-43)26-5-4-11-37-29(26)40-33(48)49-35/h4-5,11,17-18,20,23,27,36H,6-10,12-16,19,21H2,1-3H3,(H,38,41)(H,39,47)(H,37,40,48)/t23-,27-/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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 671.80 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 8 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]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 129073474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).