2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide

C19H20N4O — CID 154588459

IUPAC2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
SMILES[2H]C1NCCCC1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/i11D
InChIKeyPCHKPVIQAHNQLW-WORMITQPSA-N
MW321.40 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide

2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide (PubChem CID 154588459) has the molecular formula C19H20N4O and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
PubChem CID154588459
Molecular FormulaC19H20N4O
Molecular Weight321.40 g/mol
Exact Mass321.17
IUPAC Name2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
SMILES[2H]C1NCCCC1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/i11D
InChIKeyPCHKPVIQAHNQLW-WORMITQPSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-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-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide (CID 154588459) is 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide is [2H]C1NCCCC1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide?
The InChIKey is PCHKPVIQAHNQLW-WORMITQPSA-N. The full InChI is InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/i11D.
What are the key properties of 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide?
2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 154588459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).