[5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate

C26H37N5O3 — CID 145423830

IUPAC[5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
SMILESCCc1nc(-c2nnn(C)c2COC(=O)N(C)CC2CCC2)ccc1O[C@H]1CC12CCCCC2
InChIInChI=1S/C26H37N5O3/c1-4-19-22(34-23-15-26(23)13-6-5-7-14-26)12-11-20(27-19)24-21(31(3)29-28-24)17-33-25(32)30(2)16-18-9-8-10-18/h11-12,18,23H,4-10,13-17H2,1-3H3/t23-/m0/s1
InChIKeyGHYRULPQXQXWBI-QHCPKHFHSA-N
MW467.61 g/mol
LogP4.91
Rot. Bonds8

About [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate

[5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate (PubChem CID 145423830) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Name[5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
PubChem CID145423830
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name[5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
SMILESCCc1nc(-c2nnn(C)c2COC(=O)N(C)CC2CCC2)ccc1O[C@H]1CC12CCCCC2
InChIInChI=1S/C26H37N5O3/c1-4-19-22(34-23-15-26(23)13-6-5-7-14-26)12-11-20(27-19)24-21(31(3)29-28-24)17-33-25(32)30(2)16-18-9-8-10-18/h11-12,18,23H,4-10,13-17H2,1-3H3/t23-/m0/s1
InChIKeyGHYRULPQXQXWBI-QHCPKHFHSA-N
XLogP4.91
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate with MolForge

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Related Compounds

ethyl (2S)-2-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylate
CID 155745512
propan-2-yl 2-[(1S,3S)-3-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclopentyl]acetate
CID 156900170
(1S,2R,5R,6R)-2-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylic acid
CID 155415008
(1S)-3-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclohexane-1-carboxylic acid
CID 147187379
(1S,2S,4R,6S)-4-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]bicyclo[4.2.0]octane-2-carboxylic acid
CID 155424742
(3S,5S)-5-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-3-carboxylic acid
CID 164831229
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(1-ethylcyclopropyl)-N-methylcarbamate
CID 154936276
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluoro-3-methylbutyl)-N-methylcarbamate
CID 154936017
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluorobutyl)-N-methylcarbamate
CID 154935891
3-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylic acid
CID 164831241
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(2-methylpentan-2-yl)carbamate
CID 145423839
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(morpholin-3-ylmethyl)carbamate
CID 145423787

Frequently Asked Questions

What is the IUPAC name of [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate?
The IUPAC name of [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate (CID 145423830) is [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate.
What is the SMILES notation for [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate?
The canonical SMILES for [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate is CCc1nc(-c2nnn(C)c2COC(=O)N(C)CC2CCC2)ccc1O[C@H]1CC12CCCCC2.
What is the InChIKey of [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate?
The InChIKey is GHYRULPQXQXWBI-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-4-19-22(34-23-15-26(23)13-6-5-7-14-26)12-11-20(27-19)24-21(31(3)29-28-24)17-33-25(32)30(2)16-18-9-8-10-18/h11-12,18,23H,4-10,13-17H2,1-3H3/t23-/m0/s1.
What are the key properties of [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate?
[5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate has a molecular weight of 467.61 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-ethyl-5-[(2S)-spiro[2.5]octan-2-yl]oxy-2-pyridinyl]-3-methyltriazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate is sourced from PubChem (CID 145423830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).