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

C23H23N5O2S — CID 164628186

IUPAC[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESCn1ncc2c(-c3cccc4c3CCN4C(=O)c3ncc(CNCCO)s3)cccc21
InChIInChI=1S/C23H23N5O2S/c1-27-20-6-2-5-17(19(20)14-26-27)16-4-3-7-21-18(16)8-10-28(21)23(30)22-25-13-15(31-22)12-24-9-11-29/h2-7,13-14,24,29H,8-12H2,1H3
InChIKeyHAPRKXZLUPIOCR-UHFFFAOYSA-N
MW433.54 g/mol
LogP2.98
Rot. Bonds6

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

[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone (PubChem CID 164628186) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone
PubChem CID164628186
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone
SMILESCn1ncc2c(-c3cccc4c3CCN4C(=O)c3ncc(CNCCO)s3)cccc21
InChIInChI=1S/C23H23N5O2S/c1-27-20-6-2-5-17(19(20)14-26-27)16-4-3-7-21-18(16)8-10-28(21)23(30)22-25-13-15(31-22)12-24-9-11-29/h2-7,13-14,24,29H,8-12H2,1H3
InChIKeyHAPRKXZLUPIOCR-UHFFFAOYSA-N
XLogP2.98
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone (CID 164628186) is [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone is Cn1ncc2c(-c3cccc4c3CCN4C(=O)c3ncc(CNCCO)s3)cccc21.
What is the InChIKey of [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is HAPRKXZLUPIOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-27-20-6-2-5-17(19(20)14-26-27)16-4-3-7-21-18(16)8-10-28(21)23(30)22-25-13-15(31-22)12-24-9-11-29/h2-7,13-14,24,29H,8-12H2,1H3.
What are the key properties of [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone?
[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 433.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 164628186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).