2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

C20H25N5O2 — CID 50943324

IUPAC2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1c(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cnn1C
InChIInChI=1S/C20H25N5O2/c1-13-15(10-22-23(13)2)11-24-8-6-16(7-9-24)25-12-14-4-3-5-17(19(21)26)18(14)20(25)27/h3-5,10,16H,6-9,11-12H2,1-2H3,(H2,21,26)
InChIKeyRMUOIWTVOGZFPR-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.45
Rot. Bonds4

About 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide

2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 50943324) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID50943324
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1c(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cnn1C
InChIInChI=1S/C20H25N5O2/c1-13-15(10-22-23(13)2)11-24-8-6-16(7-9-24)25-12-14-4-3-5-17(19(21)26)18(14)20(25)27/h3-5,10,16H,6-9,11-12H2,1-2H3,(H2,21,26)
InChIKeyRMUOIWTVOGZFPR-UHFFFAOYSA-N
XLogP1.45
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide 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 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide (CID 50943324) is 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is Cc1c(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cnn1C.
What is the InChIKey of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is RMUOIWTVOGZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-15(10-22-23(13)2)11-24-8-6-16(7-9-24)25-12-14-4-3-5-17(19(21)26)18(14)20(25)27/h3-5,10,16H,6-9,11-12H2,1-2H3,(H2,21,26).
What are the key properties of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide?
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 50943324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).