ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate

C22H22FN7O2 — CID 137305561

IUPACethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1-c1cc(N)[nH]c2nn(C)c(-c3ccc(F)cc3)c2ccn1
InChIInChI=1S/C22H22FN7O2/c1-4-32-22(31)17-11-13(2)27-30(17)19-12-18(24)26-21-16(9-10-25-19)20(29(3)28-21)14-5-7-15(23)8-6-14/h5-12H,4,24H2,1-3H3,(H,26,28)/b10-9-,18-12-,25-19+
InChIKeyXYPZLILLXCKLKC-ZBSYAQDJSA-N
MW435.46 g/mol
LogP3.48
Rot. Bonds4

About ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate

ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate (PubChem CID 137305561) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate
PubChem CID137305561
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Nameethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1-c1cc(N)[nH]c2nn(C)c(-c3ccc(F)cc3)c2ccn1
InChIInChI=1S/C22H22FN7O2/c1-4-32-22(31)17-11-13(2)27-30(17)19-12-18(24)26-21-16(9-10-25-19)20(29(3)28-21)14-5-7-15(23)8-6-14/h5-12H,4,24H2,1-3H3,(H,26,28)/b10-9-,18-12-,25-19+
InChIKeyXYPZLILLXCKLKC-ZBSYAQDJSA-N
XLogP3.48
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate 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

5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
ethyl 6-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 118710523
ethyl 6-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 118710524
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54767418
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
Propan-2-yl 1-methyl-4-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-5-carboxylate
CID 165415034
ethyl 3,5-dimethyl-4-[(E)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]prop-2-enoyl]-1H-pyrrole-2-carboxylate
CID 32353704
ethyl 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 57394913
Ethyl 2-(2,2-dimethylpropyl)-6-[(4-methylbenzoyl)amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 76328600
Ethyl 6-[(4-methylbenzoyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732293
Ethyl 6-[(2-phenylacetyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732307
Ethyl 6-[(2-phenylacetyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate (CID 137305561) is ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(C)nn1-c1cc(N)[nH]c2nn(C)c(-c3ccc(F)cc3)c2ccn1.
What is the InChIKey of ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate?
The InChIKey is XYPZLILLXCKLKC-ZBSYAQDJSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-4-32-22(31)17-11-13(2)27-30(17)19-12-18(24)26-21-16(9-10-25-19)20(29(3)28-21)14-5-7-15(23)8-6-14/h5-12H,4,24H2,1-3H3,(H,26,28)/b10-9-,18-12-,25-19+.
What are the key properties of ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate?
ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate has a molecular weight of 435.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[9-amino-3-(4-fluorophenyl)-2-methyl-10H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 137305561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).