1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C35H34N6O2 — CID 130375324

IUPAC1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCn3ccnc3)C2)c2ccccc12
InChIInChI=1S/C35H34N6O2/c1-43-33-14-13-27(29-11-4-5-12-30(29)33)22-40-17-15-32-31(23-40)34(38-41(32)20-19-39-18-16-36-24-39)35(42)37-21-26-9-6-8-25-7-2-3-10-28(25)26/h2-14,16,18,24H,15,17,19-23H2,1H3,(H,37,42)
InChIKeyFCJSQUHJUSEACR-UHFFFAOYSA-N
MW570.70 g/mol
LogP5.58
Rot. Bonds9

About 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 130375324) has the molecular formula C35H34N6O2 and a molecular weight of 570.70 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID130375324
Molecular FormulaC35H34N6O2
Molecular Weight570.70 g/mol
Exact Mass570.27
IUPAC Name1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCn3ccnc3)C2)c2ccccc12
InChIInChI=1S/C35H34N6O2/c1-43-33-14-13-27(29-11-4-5-12-30(29)33)22-40-17-15-32-31(23-40)34(38-41(32)20-19-39-18-16-36-24-39)35(42)37-21-26-9-6-8-25-7-2-3-10-28(25)26/h2-14,16,18,24H,15,17,19-23H2,1H3,(H,37,42)
InChIKeyFCJSQUHJUSEACR-UHFFFAOYSA-N
XLogP5.58
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.70
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 130375324) is 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCn3ccnc3)C2)c2ccccc12.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is FCJSQUHJUSEACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O2/c1-43-33-14-13-27(29-11-4-5-12-30(29)33)22-40-17-15-32-31(23-40)34(38-41(32)20-19-39-18-16-36-24-39)35(42)37-21-26-9-6-8-25-7-2-3-10-28(25)26/h2-14,16,18,24H,15,17,19-23H2,1H3,(H,37,42).
What are the key properties of 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 570.70 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 130375324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).