1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone

C20H16N4OS — CID 53179833

IUPAC1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)c2n[nH]c3ccccc23)cs1
InChIInChI=1S/C20H16N4OS/c1-12-21-17(11-26-12)13-6-7-18-14(10-13)8-9-24(18)20(25)19-15-4-2-3-5-16(15)22-23-19/h2-7,10-11H,8-9H2,1H3,(H,22,23)
InChIKeyNPJINGDDZDENRC-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.20
Rot. Bonds2

About 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone

1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 53179833) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
PubChem CID53179833
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)c2n[nH]c3ccccc23)cs1
InChIInChI=1S/C20H16N4OS/c1-12-21-17(11-26-12)13-6-7-18-14(10-13)8-9-24(18)20(25)19-15-4-2-3-5-16(15)22-23-19/h2-7,10-11H,8-9H2,1H3,(H,22,23)
InChIKeyNPJINGDDZDENRC-UHFFFAOYSA-N
XLogP4.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone (CID 53179833) is 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone is Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2n[nH]c3ccccc23)cs1.
What is the InChIKey of 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is NPJINGDDZDENRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-21-17(11-26-12)13-6-7-18-14(10-13)8-9-24(18)20(25)19-15-4-2-3-5-16(15)22-23-19/h2-7,10-11H,8-9H2,1H3,(H,22,23).
What are the key properties of 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 360.44 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 53179833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).