[2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone

C22H21FN6OS — CID 22259095

IUPAC[2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(F)cc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4cccnc4)s3)[nH]nc12
InChIInChI=1S/C22H21FN6OS/c1-13-10-15(23)11-16-17(13)26-27-18(16)21-25-19(20(31-21)14-4-3-5-24-12-14)22(30)29-8-6-28(2)7-9-29/h3-5,10-12H,6-9H2,1-2H3,(H,26,27)
InChIKeyVXTMOMPHHGKZTA-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.58
Rot. Bonds3

About [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 22259095) has the molecular formula C22H21FN6OS and a molecular weight of 436.52 g/mol. Its IUPAC name is [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID22259095
Molecular FormulaC22H21FN6OS
Molecular Weight436.52 g/mol
Exact Mass436.15
IUPAC Name[2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(F)cc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4cccnc4)s3)[nH]nc12
InChIInChI=1S/C22H21FN6OS/c1-13-10-15(23)11-16-17(13)26-27-18(16)21-25-19(20(31-21)14-4-3-5-24-12-14)22(30)29-8-6-28(2)7-9-29/h3-5,10-12H,6-9H2,1-2H3,(H,26,27)
InChIKeyVXTMOMPHHGKZTA-UHFFFAOYSA-N
XLogP3.58
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 22259095) is [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(F)cc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4cccnc4)s3)[nH]nc12.
What is the InChIKey of [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VXTMOMPHHGKZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6OS/c1-13-10-15(23)11-16-17(13)26-27-18(16)21-25-19(20(31-21)14-4-3-5-24-12-14)22(30)29-8-6-28(2)7-9-29/h3-5,10-12H,6-9H2,1-2H3,(H,26,27).
What are the key properties of [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 436.52 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 22259095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).