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

C32H33N5O3 — CID 130375363

IUPAC1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-1H-indol-3-yl]methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=C(OC)c1cccc2c(CN3CCc4c(c(C(=O)NCc5cccc6ccccc56)nn4CCO)C3)c[nH]c12
InChIInChI=1S/C32H33N5O3/c1-21(40-2)25-11-6-12-27-24(18-33-30(25)27)19-36-14-13-29-28(20-36)31(35-37(29)15-16-38)32(39)34-17-23-9-5-8-22-7-3-4-10-26(22)23/h3-12,18,33,38H,1,13-17,19-20H2,2H3,(H,34,39)
InChIKeyAJZXSUVMDNJJJN-UHFFFAOYSA-N
MW535.65 g/mol
LogP4.62
Rot. Bonds9

About 1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-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-(1-methoxyethenyl)-1H-indol-3-yl]methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 130375363) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-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-(1-methoxyethenyl)-1H-indol-3-yl]methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID130375363
Molecular FormulaC32H33N5O3
Molecular Weight535.65 g/mol
Exact Mass535.26
IUPAC Name1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-1H-indol-3-yl]methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESC=C(OC)c1cccc2c(CN3CCc4c(c(C(=O)NCc5cccc6ccccc56)nn4CCO)C3)c[nH]c12
InChIInChI=1S/C32H33N5O3/c1-21(40-2)25-11-6-12-27-24(18-33-30(25)27)19-36-14-13-29-28(20-36)31(35-37(29)15-16-38)32(39)34-17-23-9-5-8-22-7-3-4-10-26(22)23/h3-12,18,33,38H,1,13-17,19-20H2,2H3,(H,34,39)
InChIKeyAJZXSUVMDNJJJN-UHFFFAOYSA-N
XLogP4.62
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.65
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-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-(1-methoxyethenyl)-1H-indol-3-yl]methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 130375363) is 1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-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-(1-methoxyethenyl)-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-(1-methoxyethenyl)-1H-indol-3-yl]methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is C=C(OC)c1cccc2c(CN3CCc4c(c(C(=O)NCc5cccc6ccccc56)nn4CCO)C3)c[nH]c12.
What is the InChIKey of 1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-1H-indol-3-yl]methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is AJZXSUVMDNJJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3/c1-21(40-2)25-11-6-12-27-24(18-33-30(25)27)19-36-14-13-29-28(20-36)31(35-37(29)15-16-38)32(39)34-17-23-9-5-8-22-7-3-4-10-26(22)23/h3-12,18,33,38H,1,13-17,19-20H2,2H3,(H,34,39).
What are the key properties of 1-(2-hydroxyethyl)-5-[[7-(1-methoxyethenyl)-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-(1-methoxyethenyl)-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 535.65 g/mol, XLogP of 4.62, 9 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-(1-methoxyethenyl)-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 130375363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).