3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide

C25H26N6O2 — CID 11640783

IUPAC3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnn23)C1
InChIInChI=1S/C25H26N6O2/c1-27-25(32)19-11-10-18(12-19)24-30-21(22-23(26)28-15-29-31(22)24)17-8-5-9-20(13-17)33-14-16-6-3-2-4-7-16/h2-9,13,15,18-19H,10-12,14H2,1H3,(H,27,32)(H2,26,28,29)
InChIKeyVOAHLCXWFUJKMF-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.58
Rot. Bonds6

About 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide

3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide (PubChem CID 11640783) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide
PubChem CID11640783
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnn23)C1
InChIInChI=1S/C25H26N6O2/c1-27-25(32)19-11-10-18(12-19)24-30-21(22-23(26)28-15-29-31(22)24)17-8-5-9-20(13-17)33-14-16-6-3-2-4-7-16/h2-9,13,15,18-19H,10-12,14H2,1H3,(H,27,32)(H2,26,28,29)
InChIKeyVOAHLCXWFUJKMF-UHFFFAOYSA-N
XLogP3.58
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.58
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
[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol
CID 11640272
7-[3-(azetidin-1-ylmethyl)cyclopentyl]-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11669672
methyl 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]benzoate
CID 11619341
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 67415833
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 67417649
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548
4-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclohexane-1-carboxamide
CID 66676979
trans-(1R,2R)-2-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxamide
CID 142682586
methyl 3-[8-chloro-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylate
CID 59852728
carbamoyl 4-[4-amino-5-(2-phenoxyquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 90731949
3-cyclohexyl-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;2-(dimethylamino)ethyl-methylcarbamic acid
CID 67417945

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]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide (CID 11640783) is 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide is CNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnn23)C1.
What is the InChIKey of 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is VOAHLCXWFUJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-27-25(32)19-11-10-18(12-19)24-30-21(22-23(26)28-15-29-31(22)24)17-8-5-9-20(13-17)33-14-16-6-3-2-4-7-16/h2-9,13,15,18-19H,10-12,14H2,1H3,(H,27,32)(H2,26,28,29).
What are the key properties of 3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide?
3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.58, 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]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 11640783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).