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

C36H39N5O3 — CID 118933298

IUPAC5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCN3CCOCC3)C2)c2ccccc12
InChIInChI=1S/C36H39N5O3/c1-43-34-14-13-28(30-11-4-5-12-31(30)34)24-40-16-15-33-32(25-40)35(38-41(33)18-17-39-19-21-44-22-20-39)36(42)37-23-27-9-6-8-26-7-2-3-10-29(26)27/h2-14H,15-25H2,1H3,(H,37,42)
InChIKeyNUHCJCGIACJEDD-UHFFFAOYSA-N
MW589.74 g/mol
LogP5.02
Rot. Bonds9

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

5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933298) has the molecular formula C36H39N5O3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933298
Molecular FormulaC36H39N5O3
Molecular Weight589.74 g/mol
Exact Mass589.31
IUPAC Name5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCN3CCOCC3)C2)c2ccccc12
InChIInChI=1S/C36H39N5O3/c1-43-34-14-13-28(30-11-4-5-12-31(30)34)24-40-16-15-33-32(25-40)35(38-41(33)18-17-39-19-21-44-22-20-39)36(42)37-23-27-9-6-8-26-7-2-3-10-29(26)27/h2-14H,15-25H2,1H3,(H,37,42)
InChIKeyNUHCJCGIACJEDD-UHFFFAOYSA-N
XLogP5.02
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933298) is 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCN3CCOCC3)C2)c2ccccc12.
What is the InChIKey of 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NUHCJCGIACJEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N5O3/c1-43-34-14-13-28(30-11-4-5-12-31(30)34)24-40-16-15-33-32(25-40)35(38-41(33)18-17-39-19-21-44-22-20-39)36(42)37-23-27-9-6-8-26-7-2-3-10-29(26)27/h2-14H,15-25H2,1H3,(H,37,42).
What are the key properties of 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 589.74 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).