ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate

C17H15N3O4 — CID 155684775

IUPACethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)c2cn[nH]c2n1
InChIInChI=1S/C17H15N3O4/c1-3-24-17(22)14-8-12(13-9-18-20-15(13)19-14)10-4-6-11(7-5-10)16(21)23-2/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyVXFOVIVWMOEPEA-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.59
Rot. Bonds4

About ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 155684775) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID155684775
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Nameethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)c2cn[nH]c2n1
InChIInChI=1S/C17H15N3O4/c1-3-24-17(22)14-8-12(13-9-18-20-15(13)19-14)10-4-6-11(7-5-10)16(21)23-2/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyVXFOVIVWMOEPEA-UHFFFAOYSA-N
XLogP2.59
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate
CID 59805746
ethyl 6-methoxy-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 139542716
ethyl 6-(4-bromophenyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxylate
CID 68787287
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
4-[3-(3-methylphenoxy)phenyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 143380573
ethyl 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)benzoate
CID 875354
methyl 3-(hydroxymethyl)-5-(5-methyl-1H-indazol-4-yl)benzoate
CID 146457057
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
ethyl 6-(4-methoxycarbonylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684834
ethyl 6-(4-methoxycarbonylphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684810

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate (CID 155684775) is ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2ccc(C(=O)OC)cc2)c2cn[nH]c2n1.
What is the InChIKey of ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is VXFOVIVWMOEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-3-24-17(22)14-8-12(13-9-18-20-15(13)19-14)10-4-6-11(7-5-10)16(21)23-2/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxycarbonylphenyl)-1H-pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 155684775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).