3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C23H24FN5O2 — CID 46391559

IUPAC3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(CN(C(=O)c3ccc(F)cc3)c3ccccc3)nn2C)C1
InChIInChI=1S/C23H24FN5O2/c1-25-23(31)28-13-12-21-19(14-28)20(26-27(21)2)15-29(18-6-4-3-5-7-18)22(30)16-8-10-17(24)11-9-16/h3-11H,12-15H2,1-2H3,(H,25,31)
InChIKeyZVQHCUDDEZWGQT-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.10
Rot. Bonds4

About 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 46391559) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID46391559
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(CN(C(=O)c3ccc(F)cc3)c3ccccc3)nn2C)C1
InChIInChI=1S/C23H24FN5O2/c1-25-23(31)28-13-12-21-19(14-28)20(26-27(21)2)15-29(18-6-4-3-5-7-18)22(30)16-8-10-17(24)11-9-16/h3-11H,12-15H2,1-2H3,(H,25,31)
InChIKeyZVQHCUDDEZWGQT-UHFFFAOYSA-N
XLogP3.10
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 46391559) is 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(CN(C(=O)c3ccc(F)cc3)c3ccccc3)nn2C)C1.
What is the InChIKey of 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is ZVQHCUDDEZWGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-25-23(31)28-13-12-21-19(14-28)20(26-27(21)2)15-29(18-6-4-3-5-7-18)22(30)16-8-10-17(24)11-9-16/h3-11H,12-15H2,1-2H3,(H,25,31).
What are the key properties of 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-(4-fluorobenzoyl)anilino)methyl]-N,1-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 46391559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).