5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H25FN4O3 — CID 53066560

IUPAC5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1
InChIInChI=1S/C24H25FN4O3/c1-3-32-21-7-5-4-6-18(21)24(31)29-13-12-20-19(15-29)22(27-28(20)2)23(30)26-14-16-8-10-17(25)11-9-16/h4-11H,3,12-15H2,1-2H3,(H,26,30)
InChIKeyXBFHVRMAZZTCKB-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.09
Rot. Bonds6

About 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066560) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066560
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1
InChIInChI=1S/C24H25FN4O3/c1-3-32-21-7-5-4-6-18(21)24(31)29-13-12-20-19(15-29)22(27-28(20)2)23(30)26-14-16-8-10-17(25)11-9-16/h4-11H,3,12-15H2,1-2H3,(H,26,30)
InChIKeyXBFHVRMAZZTCKB-UHFFFAOYSA-N
XLogP3.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46879898
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CID 46880044
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CID 46880096
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CID 49865463
2-[4-oxo-2-(3-piperidin-1-ylpropoxy)-6-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066560) is 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCOc1ccccc1C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1.
What is the InChIKey of 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is XBFHVRMAZZTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-3-32-21-7-5-4-6-18(21)24(31)29-13-12-20-19(15-29)22(27-28(20)2)23(30)26-14-16-8-10-17(25)11-9-16/h4-11H,3,12-15H2,1-2H3,(H,26,30).
What are the key properties of 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).