[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone

C18H16ClN3O — CID 130423545

IUPAC[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
SMILESCc1[nH]nc2ccc(C(=O)N3CC[C@H]3c3ccc(Cl)cc3)cc12
InChIInChI=1S/C18H16ClN3O/c1-11-15-10-13(4-7-16(15)21-20-11)18(23)22-9-8-17(22)12-2-5-14(19)6-3-12/h2-7,10,17H,8-9H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyQXNLDTWVURNIRW-KRWDZBQOSA-N
MW325.80 g/mol
LogP4.11
Rot. Bonds2

About [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone

[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone (PubChem CID 130423545) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
PubChem CID130423545
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
SMILESCc1[nH]nc2ccc(C(=O)N3CC[C@H]3c3ccc(Cl)cc3)cc12
InChIInChI=1S/C18H16ClN3O/c1-11-15-10-13(4-7-16(15)21-20-11)18(23)22-9-8-17(22)12-2-5-14(19)6-3-12/h2-7,10,17H,8-9H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyQXNLDTWVURNIRW-KRWDZBQOSA-N
XLogP4.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone 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 [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone (CID 130423545) is [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone is Cc1[nH]nc2ccc(C(=O)N3CC[C@H]3c3ccc(Cl)cc3)cc12.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone?
The InChIKey is QXNLDTWVURNIRW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-11-15-10-13(4-7-16(15)21-20-11)18(23)22-9-8-17(22)12-2-5-14(19)6-3-12/h2-7,10,17H,8-9H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone?
[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone has a molecular weight of 325.80 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone is sourced from PubChem (CID 130423545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).