ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C24H20ClFN4O3 — CID 58378105

IUPACethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2Cl)c2c1CN(C(=O)c1c[nH]c3ccccc13)CC2
InChIInChI=1S/C24H20ClFN4O3/c1-2-33-24(32)22-17-13-29(23(31)16-12-27-19-6-4-3-5-15(16)19)10-9-20(17)30(28-22)21-8-7-14(26)11-18(21)25/h3-8,11-12,27H,2,9-10,13H2,1H3
InChIKeyUPDKKATUFZIQRG-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.52
Rot. Bonds4

About ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 58378105) has the molecular formula C24H20ClFN4O3 and a molecular weight of 466.90 g/mol. Its IUPAC name is ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID58378105
Molecular FormulaC24H20ClFN4O3
Molecular Weight466.90 g/mol
Exact Mass466.12
IUPAC Nameethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2Cl)c2c1CN(C(=O)c1c[nH]c3ccccc13)CC2
InChIInChI=1S/C24H20ClFN4O3/c1-2-33-24(32)22-17-13-29(23(31)16-12-27-19-6-4-3-5-15(16)19)10-9-20(17)30(28-22)21-8-7-14(26)11-18(21)25/h3-8,11-12,27H,2,9-10,13H2,1H3
InChIKeyUPDKKATUFZIQRG-UHFFFAOYSA-N
XLogP4.52
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 58378105) is ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2Cl)c2c1CN(C(=O)c1c[nH]c3ccccc13)CC2.
What is the InChIKey of ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is UPDKKATUFZIQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3/c1-2-33-24(32)22-17-13-29(23(31)16-12-27-19-6-4-3-5-15(16)19)10-9-20(17)30(28-22)21-8-7-14(26)11-18(21)25/h3-8,11-12,27H,2,9-10,13H2,1H3.
What are the key properties of ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 466.90 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-chloro-4-fluorophenyl)-5-(1H-indole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 58378105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).