[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol

C24H25N5O2 — CID 11640272

IUPAC[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol
SMILESNc1ncnn2c(C3CCC(CO)C3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C24H25N5O2/c25-23-22-21(18-7-4-8-20(12-18)31-14-16-5-2-1-3-6-16)28-24(29(22)27-15-26-23)19-10-9-17(11-19)13-30/h1-8,12,15,17,19,30H,9-11,13-14H2,(H2,25,26,27)
InChIKeyFAORCJGAPSSJAC-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.83
Rot. Bonds6

About [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol

[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol (PubChem CID 11640272) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol
PubChem CID11640272
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol
SMILESNc1ncnn2c(C3CCC(CO)C3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C24H25N5O2/c25-23-22-21(18-7-4-8-20(12-18)31-14-16-5-2-1-3-6-16)28-24(29(22)27-15-26-23)19-10-9-17(11-19)13-30/h1-8,12,15,17,19,30H,9-11,13-14H2,(H2,25,26,27)
InChIKeyFAORCJGAPSSJAC-UHFFFAOYSA-N
XLogP3.83
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3-aminocyclopentyl)-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11711067
7-[3-(azetidin-1-ylmethyl)cyclopentyl]-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11669672
3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide
CID 11640783
methyl 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]benzoate
CID 11619341
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
3-[3-(2,5-dihydropyrrol-1-ylmethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67417957
3-[3-(anilinomethyl)cyclobutyl]-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 67416861
2-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
CID 11376357
trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
CID 142682586
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 67417649
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 67415833
3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid
CID 11418548

Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol?
The IUPAC name of [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol (CID 11640272) is [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol.
What is the SMILES notation for [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol?
The canonical SMILES for [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol is Nc1ncnn2c(C3CCC(CO)C3)nc(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol?
The InChIKey is FAORCJGAPSSJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-23-22-21(18-7-4-8-20(12-18)31-14-16-5-2-1-3-6-16)28-24(29(22)27-15-26-23)19-10-9-17(11-19)13-30/h1-8,12,15,17,19,30H,9-11,13-14H2,(H2,25,26,27).
What are the key properties of [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol?
[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol has a molecular weight of 415.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol is sourced from PubChem (CID 11640272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).