7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C21H32N6O — CID 156542917

IUPAC7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCN1CCC2(CCCN2C[C@@H]2CC[C@H](c3ccc4c(N)ncnn34)O2)CC1
InChIInChI=1S/C21H32N6O/c1-2-25-12-9-21(10-13-25)8-3-11-26(21)14-16-4-7-19(28-16)17-5-6-18-20(22)23-15-24-27(17)18/h5-6,15-16,19H,2-4,7-14H2,1H3,(H2,22,23,24)/t16-,19+/m0/s1
InChIKeyRJRRQDKMJMSZJI-QFBILLFUSA-N
MW384.53 g/mol
LogP2.48
Rot. Bonds4

About 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 156542917) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID156542917
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCN1CCC2(CCCN2C[C@@H]2CC[C@H](c3ccc4c(N)ncnn34)O2)CC1
InChIInChI=1S/C21H32N6O/c1-2-25-12-9-21(10-13-25)8-3-11-26(21)14-16-4-7-19(28-16)17-5-6-18-20(22)23-15-24-27(17)18/h5-6,15-16,19H,2-4,7-14H2,1H3,(H2,22,23,24)/t16-,19+/m0/s1
InChIKeyRJRRQDKMJMSZJI-QFBILLFUSA-N
XLogP2.48
TPSA71.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

7-[(2R,5S)-5-[[3,3-difluoro-8-[2-(4-fluorophenyl)ethyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;propane-2,2-diol
CID 145365080
7-[(2R,5S)-5-[[(2S)-2-[(dimethylamino)methyl]-4,4-difluoropiperidin-1-yl]methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 156542769
7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 156542934
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl acetate
CID 166531010
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl ethyl carbonate;propane-1,1-diol
CID 169174248
tert-butyl N-[2-[(2R)-1-[[(5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl]-4,4-difluoropiperidin-2-yl]ethyl]carbamate
CID 145365002
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl 2-(4,4-dimethylcyclohexyl)acetate;formonitrile
CID 166531208
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl cyclopentyl carbonate
CID 172567768
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;ethane
CID 169174536
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methyloxolan-2-yl]methanol
CID 123972346
7-[(2R,5S)-5-[[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;propane-2,2-diol
CID 145365083
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium
CID 169174180

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 156542917) is 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCN1CCC2(CCCN2C[C@@H]2CC[C@H](c3ccc4c(N)ncnn34)O2)CC1.
What is the InChIKey of 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is RJRRQDKMJMSZJI-QFBILLFUSA-N. The full InChI is InChI=1S/C21H32N6O/c1-2-25-12-9-21(10-13-25)8-3-11-26(21)14-16-4-7-19(28-16)17-5-6-18-20(22)23-15-24-27(17)18/h5-6,15-16,19H,2-4,7-14H2,1H3,(H2,22,23,24)/t16-,19+/m0/s1.
What are the key properties of 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 384.53 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,5S)-5-[(8-ethyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 156542917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).