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

C21H27FN4O2 — CID 53066556

IUPAC5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCC(CC)C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1
InChIInChI=1S/C21H27FN4O2/c1-4-15(5-2)21(28)26-11-10-18-17(13-26)19(24-25(18)3)20(27)23-12-14-6-8-16(22)9-7-14/h6-9,15H,4-5,10-13H2,1-3H3,(H,23,27)
InChIKeyWFZOGHFABNFGNF-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.81
Rot. Bonds6

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

5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066556) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066556
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCC(CC)C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1
InChIInChI=1S/C21H27FN4O2/c1-4-15(5-2)21(28)26-11-10-18-17(13-26)19(24-25(18)3)20(27)23-12-14-6-8-16(22)9-7-14/h6-9,15H,4-5,10-13H2,1-3H3,(H,23,27)
InChIKeyWFZOGHFABNFGNF-UHFFFAOYSA-N
XLogP2.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066556) is 5-(2-ethylbutanoyl)-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-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCC(CC)C(=O)N1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1.
What is the InChIKey of 5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WFZOGHFABNFGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-4-15(5-2)21(28)26-11-10-18-17(13-26)19(24-25(18)3)20(27)23-12-14-6-8-16(22)9-7-14/h6-9,15H,4-5,10-13H2,1-3H3,(H,23,27).
What are the key properties of 5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).