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

C34H35N5O3 — CID 130375334

IUPAC1-(2-acetamidoethyl)-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)nn3CCNC(C)=O)C2)c2ccccc12
InChIInChI=1S/C34H35N5O3/c1-23(40)35-17-19-39-31-16-18-38(21-26-14-15-32(42-2)29-13-6-5-12-28(26)29)22-30(31)33(37-39)34(41)36-20-25-10-7-9-24-8-3-4-11-27(24)25/h3-15H,16-22H2,1-2H3,(H,35,40)(H,36,41)
InChIKeyZHTJTRPZRFUJDQ-UHFFFAOYSA-N
MW561.69 g/mol
LogP4.82
Rot. Bonds9

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

1-(2-acetamidoethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 130375334) has the molecular formula C34H35N5O3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-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-acetamidoethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID130375334
Molecular FormulaC34H35N5O3
Molecular Weight561.69 g/mol
Exact Mass561.27
IUPAC Name1-(2-acetamidoethyl)-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)nn3CCNC(C)=O)C2)c2ccccc12
InChIInChI=1S/C34H35N5O3/c1-23(40)35-17-19-39-31-16-18-38(21-26-14-15-32(42-2)29-13-6-5-12-28(26)29)22-30(31)33(37-39)34(41)36-20-25-10-7-9-24-8-3-4-11-27(24)25/h3-15H,16-22H2,1-2H3,(H,35,40)(H,36,41)
InChIKeyZHTJTRPZRFUJDQ-UHFFFAOYSA-N
XLogP4.82
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.69
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-acetamidoethyl)-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-acetamidoethyl)-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-acetamidoethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 130375334) is 1-(2-acetamidoethyl)-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-acetamidoethyl)-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-acetamidoethyl)-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)nn3CCNC(C)=O)C2)c2ccccc12.
What is the InChIKey of 1-(2-acetamidoethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ZHTJTRPZRFUJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O3/c1-23(40)35-17-19-39-31-16-18-38(21-26-14-15-32(42-2)29-13-6-5-12-28(26)29)22-30(31)33(37-39)34(41)36-20-25-10-7-9-24-8-3-4-11-27(24)25/h3-15H,16-22H2,1-2H3,(H,35,40)(H,36,41).
What are the key properties of 1-(2-acetamidoethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-acetamidoethyl)-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 561.69 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)-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 130375334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).