N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C24H24F2N4O — CID 26138086

IUPACN-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=CCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1ccc(F)c(F)c1)C2
InChIInChI=1S/C24H24F2N4O/c1-2-11-30-22-10-12-29(15-18-8-9-20(25)21(26)13-18)16-19(22)23(28-30)24(31)27-14-17-6-4-3-5-7-17/h2-9,13H,1,10-12,14-16H2,(H,27,31)
InChIKeyDJSLAJHLXADMKA-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.84
Rot. Bonds7

About N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26138086) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID26138086
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC NameN-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=CCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1ccc(F)c(F)c1)C2
InChIInChI=1S/C24H24F2N4O/c1-2-11-30-22-10-12-29(15-18-8-9-20(25)21(26)13-18)16-19(22)23(28-30)24(31)27-14-17-6-4-3-5-7-17/h2-9,13H,1,10-12,14-16H2,(H,27,31)
InChIKeyDJSLAJHLXADMKA-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143204
N-benzyl-1-(2-hydroxyethyl)-5-(3-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140157
N-benzyl-1-(2-hydroxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26225988
5-[(3-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143228
N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 28811586
N-benzyl-5-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140349
ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26233457
1-benzyl-5-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137557
N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26135350
N-ethyl-1,5-bis[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137652
methyl 4-[[1-(2-methylpropyl)-3-(pyridin-3-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]benzoate
CID 26144039
1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933278

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26138086) is N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is C=CCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1ccc(F)c(F)c1)C2.
What is the InChIKey of N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is DJSLAJHLXADMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-2-11-30-22-10-12-29(15-18-8-9-20(25)21(26)13-18)16-19(22)23(28-30)24(31)27-14-17-6-4-3-5-7-17/h2-9,13H,1,10-12,14-16H2,(H,27,31).
What are the key properties of N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3,4-difluorophenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26138086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).