5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C36H32N4O2 — CID 118933163

IUPAC5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3-c3ccccc3)C2)c2ccccc12
InChIInChI=1S/C36H32N4O2/c1-42-34-19-18-27(30-16-7-8-17-31(30)34)23-39-21-20-33-32(24-39)35(38-40(33)28-13-3-2-4-14-28)36(41)37-22-26-12-9-11-25-10-5-6-15-29(25)26/h2-19H,20-24H2,1H3,(H,37,41)
InChIKeyLZFIYOUXLOOKBI-UHFFFAOYSA-N
MW552.68 g/mol
LogP6.68
Rot. Bonds7

About 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933163) has the molecular formula C36H32N4O2 and a molecular weight of 552.68 g/mol. Its IUPAC name is 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933163
Molecular FormulaC36H32N4O2
Molecular Weight552.68 g/mol
Exact Mass552.25
IUPAC Name5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3-c3ccccc3)C2)c2ccccc12
InChIInChI=1S/C36H32N4O2/c1-42-34-19-18-27(30-16-7-8-17-31(30)34)23-39-21-20-33-32(24-39)35(38-40(33)28-13-3-2-4-14-28)36(41)37-22-26-12-9-11-25-10-5-6-15-29(25)26/h2-19H,20-24H2,1H3,(H,37,41)
InChIKeyLZFIYOUXLOOKBI-UHFFFAOYSA-N
XLogP6.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933163) is 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3-c3ccccc3)C2)c2ccccc12.
What is the InChIKey of 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is LZFIYOUXLOOKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O2/c1-42-34-19-18-27(30-16-7-8-17-31(30)34)23-39-21-20-33-32(24-39)35(38-40(33)28-13-3-2-4-14-28)36(41)37-22-26-12-9-11-25-10-5-6-15-29(25)26/h2-19H,20-24H2,1H3,(H,37,41).
What are the key properties of 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 552.68 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).