azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide

C30H28F2N8O3 — CID 158980131

IUPACazane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCCOC(=O)c1nn(Cc2ccccc2F)c2ncccc12.N.NC(=O)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C16H14FN3O2.C14H11FN4O.H3N/c1-2-22-16(21)14-12-7-5-9-18-15(12)20(19-14)10-11-6-3-4-8-13(11)17;15-11-6-2-1-4-9(11)8-19-14-10(5-3-7-17-14)12(18-19)13(16)20;/h3-9H,2,10H2,1H3;1-7H,8H2,(H2,16,20);1H3
InChIKeyATSVNDKTBIZWDX-UHFFFAOYSA-N
MW586.60 g/mol
LogP4.68
Rot. Bonds7

About azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide

azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 158980131) has the molecular formula C30H28F2N8O3 and a molecular weight of 586.60 g/mol. Its IUPAC name is azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Nameazane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID158980131
Molecular FormulaC30H28F2N8O3
Molecular Weight586.60 g/mol
Exact Mass586.23
IUPAC Nameazane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCCOC(=O)c1nn(Cc2ccccc2F)c2ncccc12.N.NC(=O)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C16H14FN3O2.C14H11FN4O.H3N/c1-2-22-16(21)14-12-7-5-9-18-15(12)20(19-14)10-11-6-3-4-8-13(11)17;15-11-6-2-1-4-9(11)8-19-14-10(5-3-7-17-14)12(18-19)13(16)20;/h3-9H,2,10H2,1H3;1-7H,8H2,(H2,16,20);1H3
InChIKeyATSVNDKTBIZWDX-UHFFFAOYSA-N
XLogP4.68
TPSA165.81 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.60
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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
5-[2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775738
5-[2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67776672
ethyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377633
4-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165368488
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-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
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 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
CID 118708352
Ethyl 6-[(4-methylbenzoyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732293

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 158980131) is azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide is CCOC(=O)c1nn(Cc2ccccc2F)c2ncccc12.N.NC(=O)c1nn(Cc2ccccc2F)c2ncccc12.
What is the InChIKey of azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is ATSVNDKTBIZWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2.C14H11FN4O.H3N/c1-2-22-16(21)14-12-7-5-9-18-15(12)20(19-14)10-11-6-3-4-8-13(11)17;15-11-6-2-1-4-9(11)8-19-14-10(5-3-7-17-14)12(18-19)13(16)20;/h3-9H,2,10H2,1H3;1-7H,8H2,(H2,16,20);1H3.
What are the key properties of azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide?
azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 586.60 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 158980131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).