N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

C24H25FN6OS — CID 156760491

IUPACN-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccc(F)c3)n[nH]c2c1
InChIInChI=1S/C24H25FN6OS/c1-15-23(33-24(26-15)27-21(32)14-31-10-8-30(2)9-11-31)17-6-7-19-20(13-17)28-29-22(19)16-4-3-5-18(25)12-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,29)(H,26,27,32)
InChIKeyJQWRJBSSPBPQFP-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.99
Rot. Bonds5

About N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 156760491) has the molecular formula C24H25FN6OS and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID156760491
Molecular FormulaC24H25FN6OS
Molecular Weight464.57 g/mol
Exact Mass464.18
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccc(F)c3)n[nH]c2c1
InChIInChI=1S/C24H25FN6OS/c1-15-23(33-24(26-15)27-21(32)14-31-10-8-30(2)9-11-31)17-6-7-19-20(13-17)28-29-22(19)16-4-3-5-18(25)12-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,29)(H,26,27,32)
InChIKeyJQWRJBSSPBPQFP-UHFFFAOYSA-N
XLogP3.99
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 156760491) is N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccc(F)c3)n[nH]c2c1.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is JQWRJBSSPBPQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6OS/c1-15-23(33-24(26-15)27-21(32)14-31-10-8-30(2)9-11-31)17-6-7-19-20(13-17)28-29-22(19)16-4-3-5-18(25)12-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,29)(H,26,27,32).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 464.57 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 156760491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).