N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide

C21H18F3N7O3 — CID 121265615

IUPACN-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide
SMILESCOc1cc(-n2c3c(c4ncnc(N)c42)COC3)ccc1NC(=O)Cn1cnc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N7O3/c1-33-15-4-11(31-14-8-34-7-12(14)18-19(31)20(25)27-9-26-18)2-3-13(15)29-17(32)6-30-5-16(28-10-30)21(22,23)24/h2-5,9-10H,6-8H2,1H3,(H,29,32)(H2,25,26,27)
InChIKeyBSUFEZFKNNDUKO-UHFFFAOYSA-N
MW473.42 g/mol
LogP2.90
Rot. Bonds5

About N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide

N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide (PubChem CID 121265615) has the molecular formula C21H18F3N7O3 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide
PubChem CID121265615
Molecular FormulaC21H18F3N7O3
Molecular Weight473.42 g/mol
Exact Mass473.14
IUPAC NameN-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide
SMILESCOc1cc(-n2c3c(c4ncnc(N)c42)COC3)ccc1NC(=O)Cn1cnc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3N7O3/c1-33-15-4-11(31-14-8-34-7-12(14)18-19(31)20(25)27-9-26-18)2-3-13(15)29-17(32)6-30-5-16(28-10-30)21(22,23)24/h2-5,9-10H,6-8H2,1H3,(H,29,32)(H2,25,26,27)
InChIKeyBSUFEZFKNNDUKO-UHFFFAOYSA-N
XLogP2.90
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide with MolForge

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Related Compounds

1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659844
1-[4-[4-[[4-Imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56683651
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 58065745
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-propan-2-ylbenzimidazol-4-amine
CID 66679082
2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 66679335
1H-Benzimidazol-4-amine, 2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1-methyl-
CID 66679405
2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 66679447
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415170
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415210
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine
CID 67415502
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415529
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-phenylimidazo[1,2-a]pyridin-8-amine
CID 67415655

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide (CID 121265615) is N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide is COc1cc(-n2c3c(c4ncnc(N)c42)COC3)ccc1NC(=O)Cn1cnc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide?
The InChIKey is BSUFEZFKNNDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7O3/c1-33-15-4-11(31-14-8-34-7-12(14)18-19(31)20(25)27-9-26-18)2-3-13(15)29-17(32)6-30-5-16(28-10-30)21(22,23)24/h2-5,9-10H,6-8H2,1H3,(H,29,32)(H2,25,26,27).
What are the key properties of N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide?
N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide has a molecular weight of 473.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-amino-4-oxa-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 121265615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).