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

C30H31N5O3 — CID 118933277

IUPAC1-(2-hydroxyethyl)-5-[(7-methoxy-1H-indol-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)c[nH]c12
InChIInChI=1S/C30H31N5O3/c1-38-27-11-5-10-24-22(17-31-28(24)27)18-34-13-12-26-25(19-34)29(33-35(26)14-15-36)30(37)32-16-21-8-4-7-20-6-2-3-9-23(20)21/h2-11,17,31,36H,12-16,18-19H2,1H3,(H,32,37)
InChIKeyFBNLYZROIJUNMN-UHFFFAOYSA-N
MW509.61 g/mol
LogP4.01
Rot. Bonds8

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

1-(2-hydroxyethyl)-5-[(7-methoxy-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933277) has the molecular formula C30H31N5O3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[(7-methoxy-1H-indol-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-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933277
Molecular FormulaC30H31N5O3
Molecular Weight509.61 g/mol
Exact Mass509.24
IUPAC Name1-(2-hydroxyethyl)-5-[(7-methoxy-1H-indol-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)c[nH]c12
InChIInChI=1S/C30H31N5O3/c1-38-27-11-5-10-24-22(17-31-28(24)27)18-34-13-12-26-25(19-34)29(33-35(26)14-15-36)30(37)32-16-21-8-4-7-20-6-2-3-9-23(20)21/h2-11,17,31,36H,12-16,18-19H2,1H3,(H,32,37)
InChIKeyFBNLYZROIJUNMN-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)-5-[(7-methoxy-1H-indol-3-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-hydroxyethyl)-5-[(7-methoxy-1H-indol-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-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933277) is 1-(2-hydroxyethyl)-5-[(7-methoxy-1H-indol-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-1H-indol-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-1H-indol-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)c[nH]c12.
What is the InChIKey of 1-(2-hydroxyethyl)-5-[(7-methoxy-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is FBNLYZROIJUNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3/c1-38-27-11-5-10-24-22(17-31-28(24)27)18-34-13-12-26-25(19-34)29(33-35(26)14-15-36)30(37)32-16-21-8-4-7-20-6-2-3-9-23(20)21/h2-11,17,31,36H,12-16,18-19H2,1H3,(H,32,37).
What are the key properties of 1-(2-hydroxyethyl)-5-[(7-methoxy-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-5-[(7-methoxy-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-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)-5-[(7-methoxy-1H-indol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).