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

C31H31N5O3 — CID 155533836

IUPAC5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(=O)n1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21
InChIInChI=1S/C31H31N5O3/c1-21(38)35-19-24(26-11-4-5-12-28(26)35)18-34-14-13-29-27(20-34)30(33-36(29)15-16-37)31(39)32-17-23-9-6-8-22-7-2-3-10-25(22)23/h2-12,19,37H,13-18,20H2,1H3,(H,32,39)
InChIKeyUTINJTQDSVJPEY-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.13
Rot. Bonds7

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

5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155533836) has the molecular formula C31H31N5O3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155533836
Molecular FormulaC31H31N5O3
Molecular Weight521.62 g/mol
Exact Mass521.24
IUPAC Name5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(=O)n1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21
InChIInChI=1S/C31H31N5O3/c1-21(38)35-19-24(26-11-4-5-12-28(26)35)18-34-14-13-29-27(20-34)30(33-36(29)15-16-37)31(39)32-17-23-9-6-8-22-7-2-3-10-25(22)23/h2-12,19,37H,13-18,20H2,1H3,(H,32,39)
InChIKeyUTINJTQDSVJPEY-UHFFFAOYSA-N
XLogP4.13
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 155533836) is 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(=O)n1cc(CN2CCc3c(c(C(=O)NCc4cccc5ccccc45)nn3CCO)C2)c2ccccc21.
What is the InChIKey of 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UTINJTQDSVJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3/c1-21(38)35-19-24(26-11-4-5-12-28(26)35)18-34-14-13-29-27(20-34)30(33-36(29)15-16-37)31(39)32-17-23-9-6-8-22-7-2-3-10-25(22)23/h2-12,19,37H,13-18,20H2,1H3,(H,32,39).
What are the key properties of 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-acetylindol-3-yl)methyl]-1-(2-hydroxyethyl)-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155533836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).