4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole

C19H17IN4O — CID 118937079

IUPAC4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(I)nn([C@@H](C)c3ccccn3)c2c1
InChIInChI=1S/C19H17IN4O/c1-11-18(13(3)25-23-11)14-7-8-15-17(10-14)24(22-19(15)20)12(2)16-6-4-5-9-21-16/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyDZJQWDUDLYQCNA-LBPRGKRZSA-N
MW444.28 g/mol
LogP4.92
Rot. Bonds3

About 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole

4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 118937079) has the molecular formula C19H17IN4O and a molecular weight of 444.28 g/mol. Its IUPAC name is 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID118937079
Molecular FormulaC19H17IN4O
Molecular Weight444.28 g/mol
Exact Mass444.04
IUPAC Name4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(I)nn([C@@H](C)c3ccccn3)c2c1
InChIInChI=1S/C19H17IN4O/c1-11-18(13(3)25-23-11)14-7-8-15-17(10-14)24(22-19(15)20)12(2)16-6-4-5-9-21-16/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyDZJQWDUDLYQCNA-LBPRGKRZSA-N
XLogP4.92
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.28
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole 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 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole (CID 118937079) is 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2c(I)nn([C@@H](C)c3ccccn3)c2c1.
What is the InChIKey of 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is DZJQWDUDLYQCNA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17IN4O/c1-11-18(13(3)25-23-11)14-7-8-15-17(10-14)24(22-19(15)20)12(2)16-6-4-5-9-21-16/h4-10,12H,1-3H3/t12-/m0/s1.
What are the key properties of 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 444.28 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-iodo-1-[(1S)-1-pyridin-2-ylethyl]indazol-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 118937079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).