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

C23H21FN4O4 — CID 53066610

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(C(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C23H21FN4O4/c1-27-18-8-9-28(23(30)15-3-5-16(24)6-4-15)12-17(18)21(26-27)22(29)25-11-14-2-7-19-20(10-14)32-13-31-19/h2-7,10H,8-9,11-13H2,1H3,(H,25,29)
InChIKeyJEVQFNJVWMYPLF-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.42
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066610) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066610
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(C(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C23H21FN4O4/c1-27-18-8-9-28(23(30)15-3-5-16(24)6-4-15)12-17(18)21(26-27)22(29)25-11-14-2-7-19-20(10-14)32-13-31-19/h2-7,10H,8-9,11-13H2,1H3,(H,25,29)
InChIKeyJEVQFNJVWMYPLF-UHFFFAOYSA-N
XLogP2.42
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16022664
CID 16022664
CID 2811299
CID 2811299
CID 6499837
CID 6499837
CID 146597651
CID 146597651
CID 146641781
CID 146641781
CID 155552895
CID 155552895
CID 3245062
CID 3245062
CID 5412212
CID 5412212
CID 16022696
CID 16022696
CID 16022876
CID 16022876
CID 16024094
CID 16024094
CID 20919842
CID 20919842

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066610) is N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc3c(c2)OCO3)c2c1CCN(C(=O)c1ccc(F)cc1)C2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is JEVQFNJVWMYPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-27-18-8-9-28(23(30)15-3-5-16(24)6-4-15)12-17(18)21(26-27)22(29)25-11-14-2-7-19-20(10-14)32-13-31-19/h2-7,10H,8-9,11-13H2,1H3,(H,25,29).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).