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

C25H26FN5O3 — CID 53018091

IUPAC5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1)C2
InChIInChI=1S/C25H26FN5O3/c1-30-21-12-13-31(23(33)11-10-22(32)27-15-17-6-3-2-4-7-17)16-20(21)24(29-30)25(34)28-19-9-5-8-18(26)14-19/h2-9,14H,10-13,15-16H2,1H3,(H,27,32)(H,28,34)
InChIKeyVWTFQKBVIWGHIA-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.79
Rot. Bonds7

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

5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53018091) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53018091
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1)C2
InChIInChI=1S/C25H26FN5O3/c1-30-21-12-13-31(23(33)11-10-22(32)27-15-17-6-3-2-4-7-17)16-20(21)24(29-30)25(34)28-19-9-5-8-18(26)14-19/h2-9,14H,10-13,15-16H2,1H3,(H,27,32)(H,28,34)
InChIKeyVWTFQKBVIWGHIA-UHFFFAOYSA-N
XLogP2.79
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-1-methyl-5-[4-oxo-4-(2-piperidin-1-ylethylamino)butanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018100
5-[4-[(2-fluorophenyl)methylamino]-4-oxobutanoyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018144
5-[4-(cyclopentylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53011275
1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018139
N-[(4-ethylphenyl)methyl]-4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53017996
N-[(4-methylphenyl)methyl]-4-[1-methyl-3-(piperidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53018008
N-[(4-chlorophenyl)methyl]-1-methyl-5-(2-phenylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066501
N-benzyl-1-methyl-5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53027400
5-[2-(4-fluorophenoxy)acetyl]-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066540
3-N-benzyl-5-N-(2,5-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 53066792
N-[(4-chlorophenyl)methyl]-5-(2,6-difluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066494
N-[(4-ethoxyphenyl)methyl]-4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxobutanamide
CID 53018081

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53018091) is 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)NCc1ccccc1)C2.
What is the InChIKey of 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VWTFQKBVIWGHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-30-21-12-13-31(23(33)11-10-22(32)27-15-17-6-3-2-4-7-17)16-20(21)24(29-30)25(34)28-19-9-5-8-18(26)14-19/h2-9,14H,10-13,15-16H2,1H3,(H,27,32)(H,28,34).
What are the key properties of 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzylamino)-4-oxobutanoyl]-N-(3-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53018091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).