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

C31H33N5O3 — CID 155553090

IUPAC1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc2c(CN3CCc4c(c(C(=O)NCc5cccc6ccccc56)nn4CCO)C3)cn(C)c12
InChIInChI=1S/C31H33N5O3/c1-34-18-23(25-11-6-12-28(39-2)30(25)34)19-35-14-13-27-26(20-35)29(33-36(27)15-16-37)31(38)32-17-22-9-5-8-21-7-3-4-10-24(21)22/h3-12,18,37H,13-17,19-20H2,1-2H3,(H,32,38)
InChIKeyNGPQOBKMPZSIIR-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.02
Rot. Bonds8

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

1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155553090) has the molecular formula C31H33N5O3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155553090
Molecular FormulaC31H33N5O3
Molecular Weight523.64 g/mol
Exact Mass523.26
IUPAC Name1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1cccc2c(CN3CCc4c(c(C(=O)NCc5cccc6ccccc56)nn4CCO)C3)cn(C)c12
InChIInChI=1S/C31H33N5O3/c1-34-18-23(25-11-6-12-28(39-2)30(25)34)19-35-14-13-27-26(20-35)29(33-36(27)15-16-37)31(38)32-17-22-9-5-8-21-7-3-4-10-24(21)22/h3-12,18,37H,13-17,19-20H2,1-2H3,(H,32,38)
InChIKeyNGPQOBKMPZSIIR-UHFFFAOYSA-N
XLogP4.02
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 155553090) is 1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-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-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1cccc2c(CN3CCc4c(c(C(=O)NCc5cccc6ccccc56)nn4CCO)C3)cn(C)c12.
What is the InChIKey of 1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NGPQOBKMPZSIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3/c1-34-18-23(25-11-6-12-28(39-2)30(25)34)19-35-14-13-27-26(20-35)29(33-36(27)15-16-37)31(38)32-17-22-9-5-8-21-7-3-4-10-24(21)22/h3-12,18,37H,13-17,19-20H2,1-2H3,(H,32,38).
What are the key properties of 1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 523.64 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-[(7-methoxy-1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155553090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).