5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C29H32N4O3 — CID 118933281

IUPAC5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)cc1
InChIInChI=1S/C29H32N4O3/c1-2-36-24-12-10-21(11-13-24)19-32-15-14-27-26(20-32)28(31-33(27)16-17-34)29(35)30-18-23-8-5-7-22-6-3-4-9-25(22)23/h3-13,34H,2,14-20H2,1H3,(H,30,35)
InChIKeyVEZGTFFRGKOHBN-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.92
Rot. Bonds9

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

5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933281) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933281
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)cc1
InChIInChI=1S/C29H32N4O3/c1-2-36-24-12-10-21(11-13-24)19-32-15-14-27-26(20-32)28(31-33(27)16-17-34)29(35)30-18-23-8-5-7-22-6-3-4-9-25(22)23/h3-13,34H,2,14-20H2,1H3,(H,30,35)
InChIKeyVEZGTFFRGKOHBN-UHFFFAOYSA-N
XLogP3.92
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933281) is 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VEZGTFFRGKOHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-2-36-24-12-10-21(11-13-24)19-32-15-14-27-26(20-32)28(31-33(27)16-17-34)29(35)30-18-23-8-5-7-22-6-3-4-9-25(22)23/h3-13,34H,2,14-20H2,1H3,(H,30,35).
What are the key properties of 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).