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

C27H33FN4O — CID 122684091

IUPACN-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)CCn1nc(C(=O)N(C)Cc2ccccc2)c2c1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C27H33FN4O/c1-20(2)13-16-32-25-14-15-31(18-22-9-11-23(28)12-10-22)19-24(25)26(29-32)27(33)30(3)17-21-7-5-4-6-8-21/h4-12,20H,13-19H2,1-3H3
InChIKeyVFLPQJSGZZIZKV-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.90
Rot. Bonds8

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

N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 122684091) has the molecular formula C27H33FN4O and a molecular weight of 448.59 g/mol. Its IUPAC name is N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID122684091
Molecular FormulaC27H33FN4O
Molecular Weight448.59 g/mol
Exact Mass448.26
IUPAC NameN-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)CCn1nc(C(=O)N(C)Cc2ccccc2)c2c1CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C27H33FN4O/c1-20(2)13-16-32-25-14-15-31(18-22-9-11-23(28)12-10-22)19-24(25)26(29-32)27(33)30(3)17-21-7-5-4-6-8-21/h4-12,20H,13-19H2,1-3H3
InChIKeyVFLPQJSGZZIZKV-UHFFFAOYSA-N
XLogP4.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 122684091) is N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)CCn1nc(C(=O)N(C)Cc2ccccc2)c2c1CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VFLPQJSGZZIZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O/c1-20(2)13-16-32-25-14-15-31(18-22-9-11-23(28)12-10-22)19-24(25)26(29-32)27(33)30(3)17-21-7-5-4-6-8-21/h4-12,20H,13-19H2,1-3H3.
What are the key properties of N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-fluorophenyl)methyl]-N-methyl-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 122684091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).