ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate

C20H22FN7O3 — CID 162684802

IUPACethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(Cc2nc3c4cc(F)cc(OC)c4nc(N)n3n2)cn1
InChIInChI=1S/C20H22FN7O3/c1-3-31-17(29)5-4-6-27-11-12(10-23-27)7-16-24-19-14-8-13(21)9-15(30-2)18(14)25-20(22)28(19)26-16/h8-11H,3-7H2,1-2H3,(H2,22,25)
InChIKeyRHWBUKIZVFRCDZ-UHFFFAOYSA-N
MW427.44 g/mol
LogP2.14
Rot. Bonds8

About ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate

ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate (PubChem CID 162684802) has the molecular formula C20H22FN7O3 and a molecular weight of 427.44 g/mol. Its IUPAC name is ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate
PubChem CID162684802
Molecular FormulaC20H22FN7O3
Molecular Weight427.44 g/mol
Exact Mass427.18
IUPAC Nameethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(Cc2nc3c4cc(F)cc(OC)c4nc(N)n3n2)cn1
InChIInChI=1S/C20H22FN7O3/c1-3-31-17(29)5-4-6-27-11-12(10-23-27)7-16-24-19-14-8-13(21)9-15(30-2)18(14)25-20(22)28(19)26-16/h8-11H,3-7H2,1-2H3,(H2,22,25)
InChIKeyRHWBUKIZVFRCDZ-UHFFFAOYSA-N
XLogP2.14
TPSA122.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
CID 90257651
acetylene;N-[4-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-5-(2-hydroxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 171652480
acetylene;N-[4-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-4-(2-aminopropan-2-yl)-N-methylbenzamide;ethane
CID 171653139
2-[4-[(2S,5R)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 146651181
(2R,3R)-3-[4-[(3R)-3-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-3-methylpyrazol-1-yl]butan-2-ol
CID 146651087
N-[4-(5-amino-7,9-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)butyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 171652642
ethyl 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)butanoate
CID 66088450
acetylene;N-[(2S)-5-(5-amino-9-fluoro-7-methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pentan-2-yl]-5-(azetidin-1-yl)-N-methylpyrazine-2-carboxamide
CID 171652744
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
methane;7-methoxy-9-methyl-2-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;7-methoxy-9-methyl-2-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 159796254
ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate
CID 122240626
ethyl 4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 119053470

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate?
The IUPAC name of ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate (CID 162684802) is ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate?
The canonical SMILES for ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate is CCOC(=O)CCCn1cc(Cc2nc3c4cc(F)cc(OC)c4nc(N)n3n2)cn1.
What is the InChIKey of ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate?
The InChIKey is RHWBUKIZVFRCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O3/c1-3-31-17(29)5-4-6-27-11-12(10-23-27)7-16-24-19-14-8-13(21)9-15(30-2)18(14)25-20(22)28(19)26-16/h8-11H,3-7H2,1-2H3,(H2,22,25).
What are the key properties of ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate?
ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate has a molecular weight of 427.44 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methyl]pyrazol-1-yl]butanoate is sourced from PubChem (CID 162684802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).