(3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone

C17H11Cl2N3O2 — CID 121485512

IUPAC(3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3ccc4[nH]ncc4c3)c(Cl)c2c1Cl
InChIInChI=1S/C17H11Cl2N3O2/c1-24-12-5-4-11-13(14(12)18)15(19)16(21-11)17(23)8-2-3-10-9(6-8)7-20-22-10/h2-7,21H,1H3,(H,20,22)
InChIKeyDWCJFCUFRDDECU-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.59
Rot. Bonds3

About (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone

(3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone (PubChem CID 121485512) has the molecular formula C17H11Cl2N3O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name(3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone
PubChem CID121485512
Molecular FormulaC17H11Cl2N3O2
Molecular Weight360.20 g/mol
Exact Mass359.02
IUPAC Name(3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3ccc4[nH]ncc4c3)c(Cl)c2c1Cl
InChIInChI=1S/C17H11Cl2N3O2/c1-24-12-5-4-11-13(14(12)18)15(19)16(21-11)17(23)8-2-3-10-9(6-8)7-20-22-10/h2-7,21H,1H3,(H,20,22)
InChIKeyDWCJFCUFRDDECU-UHFFFAOYSA-N
XLogP4.59
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone?
The IUPAC name of (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone (CID 121485512) is (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone.
What is the SMILES notation for (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone?
The canonical SMILES for (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone is COc1ccc2[nH]c(C(=O)c3ccc4[nH]ncc4c3)c(Cl)c2c1Cl.
What is the InChIKey of (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone?
The InChIKey is DWCJFCUFRDDECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2/c1-24-12-5-4-11-13(14(12)18)15(19)16(21-11)17(23)8-2-3-10-9(6-8)7-20-22-10/h2-7,21H,1H3,(H,20,22).
What are the key properties of (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone?
(3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone has a molecular weight of 360.20 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichloro-5-methoxy-1H-indol-2-yl)-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 121485512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).