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

C30H31N5O3 — CID 118933167

IUPAC1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5[nH]ccc45)nn3CCO)C2)c2ccccc12
InChIInChI=1S/C30H31N5O3/c1-38-28-10-9-21(22-6-2-3-7-24(22)28)18-34-14-12-27-25(19-34)29(33-35(27)15-16-36)30(37)32-17-20-5-4-8-26-23(20)11-13-31-26/h2-11,13,31,36H,12,14-19H2,1H3,(H,32,37)
InChIKeyIBGCWKORTVCSLN-UHFFFAOYSA-N
MW509.61 g/mol
LogP4.01
Rot. Bonds8

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

1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933167) has the molecular formula C30H31N5O3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933167
Molecular FormulaC30H31N5O3
Molecular Weight509.61 g/mol
Exact Mass509.24
IUPAC Name1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5[nH]ccc45)nn3CCO)C2)c2ccccc12
InChIInChI=1S/C30H31N5O3/c1-38-28-10-9-21(22-6-2-3-7-24(22)28)18-34-14-12-27-25(19-34)29(33-35(27)15-16-36)30(37)32-17-20-5-4-8-26-23(20)11-13-31-26/h2-11,13,31,36H,12,14-19H2,1H3,(H,32,37)
InChIKeyIBGCWKORTVCSLN-UHFFFAOYSA-N
XLogP4.01
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-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)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933167) is 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CN2CCc3c(c(C(=O)NCc4cccc5[nH]ccc45)nn3CCO)C2)c2ccccc12.
What is the InChIKey of 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is IBGCWKORTVCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3/c1-38-28-10-9-21(22-6-2-3-7-24(22)28)18-34-14-12-27-25(19-34)29(33-35(27)15-16-36)30(37)32-17-20-5-4-8-26-23(20)11-13-31-26/h2-11,13,31,36H,12,14-19H2,1H3,(H,32,37).
What are the key properties of 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-(1H-indol-4-ylmethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).