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

C34H37N5O2 — CID 130375341

IUPAC1-[2-(dimethylamino)ethyl]-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)nn3CCN(C)C)C2)c2ccccc12
InChIInChI=1S/C34H37N5O2/c1-37(2)19-20-39-31-17-18-38(22-26-15-16-32(41-3)29-14-7-6-13-28(26)29)23-30(31)33(36-39)34(40)35-21-25-11-8-10-24-9-4-5-12-27(24)25/h4-16H,17-23H2,1-3H3,(H,35,40)
InChIKeyGVYGMVYIWYRUNW-UHFFFAOYSA-N
MW547.70 g/mol
LogP5.25
Rot. Bonds9

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

1-[2-(dimethylamino)ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 130375341) has the molecular formula C34H37N5O2 and a molecular weight of 547.70 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-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-(dimethylamino)ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID130375341
Molecular FormulaC34H37N5O2
Molecular Weight547.70 g/mol
Exact Mass547.29
IUPAC Name1-[2-(dimethylamino)ethyl]-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)nn3CCN(C)C)C2)c2ccccc12
InChIInChI=1S/C34H37N5O2/c1-37(2)19-20-39-31-17-18-38(22-26-15-16-32(41-3)29-14-7-6-13-28(26)29)23-30(31)33(36-39)34(40)35-21-25-11-8-10-24-9-4-5-12-27(24)25/h4-16H,17-23H2,1-3H3,(H,35,40)
InChIKeyGVYGMVYIWYRUNW-UHFFFAOYSA-N
XLogP5.25
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)ethyl]-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-(dimethylamino)ethyl]-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-(dimethylamino)ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 130375341) is 1-[2-(dimethylamino)ethyl]-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-(dimethylamino)ethyl]-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-(dimethylamino)ethyl]-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)nn3CCN(C)C)C2)c2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is GVYGMVYIWYRUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O2/c1-37(2)19-20-39-31-17-18-38(22-26-15-16-32(41-3)29-14-7-6-13-28(26)29)23-30(31)33(36-39)34(40)35-21-25-11-8-10-24-9-4-5-12-27(24)25/h4-16H,17-23H2,1-3H3,(H,35,40).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-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 547.70 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-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 130375341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).