(1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate

C34H38N6O4 — CID 90004834

IUPAC(1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate
SMILESCC(C)(COc1ccc2[nH]c(-c3cc(NC(=O)Oc4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1)CN1CCCCC1
InChIInChI=1S/C34H38N6O4/c1-34(2,22-39-13-7-4-8-14-39)23-43-27-11-12-30-25(15-27)16-31(38-30)29-17-26(18-35-32(29)41)37-33(42)44-28-19-36-40(21-28)20-24-9-5-3-6-10-24/h3,5-6,9-12,15-19,21,38H,4,7-8,13-14,20,22-23H2,1-2H3,(H,35,41)(H,37,42)
InChIKeyFYDSWQSODBFIIO-UHFFFAOYSA-N
MW594.72 g/mol
LogP6.27
Rot. Bonds10

About (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate

(1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate (PubChem CID 90004834) has the molecular formula C34H38N6O4 and a molecular weight of 594.72 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate
PubChem CID90004834
Molecular FormulaC34H38N6O4
Molecular Weight594.72 g/mol
Exact Mass594.30
IUPAC Name(1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate
SMILESCC(C)(COc1ccc2[nH]c(-c3cc(NC(=O)Oc4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1)CN1CCCCC1
InChIInChI=1S/C34H38N6O4/c1-34(2,22-39-13-7-4-8-14-39)23-43-27-11-12-30-25(15-27)16-31(38-30)29-17-26(18-35-32(29)41)37-33(42)44-28-19-36-40(21-28)20-24-9-5-3-6-10-24/h3,5-6,9-12,15-19,21,38H,4,7-8,13-14,20,22-23H2,1-2H3,(H,35,41)(H,37,42)
InChIKeyFYDSWQSODBFIIO-UHFFFAOYSA-N
XLogP6.27
TPSA117.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.72
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate 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-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate?
The IUPAC name of (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate (CID 90004834) is (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate.
What is the SMILES notation for (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate?
The canonical SMILES for (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate is CC(C)(COc1ccc2[nH]c(-c3cc(NC(=O)Oc4cnn(Cc5ccccc5)c4)c[nH]c3=O)cc2c1)CN1CCCCC1.
What is the InChIKey of (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate?
The InChIKey is FYDSWQSODBFIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O4/c1-34(2,22-39-13-7-4-8-14-39)23-43-27-11-12-30-25(15-27)16-31(38-30)29-17-26(18-35-32(29)41)37-33(42)44-28-19-36-40(21-28)20-24-9-5-3-6-10-24/h3,5-6,9-12,15-19,21,38H,4,7-8,13-14,20,22-23H2,1-2H3,(H,35,41)(H,37,42).
What are the key properties of (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate?
(1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate has a molecular weight of 594.72 g/mol, XLogP of 6.27, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl) N-[5-[5-(2,2-dimethyl-3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-6-oxo-1H-pyridin-3-yl]carbamate is sourced from PubChem (CID 90004834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).