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

C30H31N5O2 — CID 155548571

IUPAC1-(2-hydroxyethyl)-5-[(1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21
InChIInChI=1S/C30H31N5O2/c1-33-18-23(25-11-4-5-12-27(25)33)19-34-14-13-28-26(20-34)29(32-35(28)15-16-36)30(37)31-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,18,36H,13-17,19-20H2,1H3,(H,31,37)
InChIKeyMADLZLNHGGOSPB-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.01
Rot. Bonds7

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

1-(2-hydroxyethyl)-5-[(1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155548571) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[(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-[(1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155548571
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name1-(2-hydroxyethyl)-5-[(1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21
InChIInChI=1S/C30H31N5O2/c1-33-18-23(25-11-4-5-12-27(25)33)19-34-14-13-28-26(20-34)29(32-35(28)15-16-36)30(37)31-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,18,36H,13-17,19-20H2,1H3,(H,31,37)
InChIKeyMADLZLNHGGOSPB-UHFFFAOYSA-N
XLogP4.01
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-[(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-[(1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 155548571) is 1-(2-hydroxyethyl)-5-[(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-[(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-[(1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21.
What is the InChIKey of 1-(2-hydroxyethyl)-5-[(1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MADLZLNHGGOSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-33-18-23(25-11-4-5-12-27(25)33)19-34-14-13-28-26(20-34)29(32-35(28)15-16-36)30(37)31-17-22-9-6-8-21-7-2-3-10-24(21)22/h2-12,18,36H,13-17,19-20H2,1H3,(H,31,37).
What are the key properties of 1-(2-hydroxyethyl)-5-[(1-methylindol-3-yl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-5-[(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 493.61 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-[(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 155548571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).