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

C23H25N7OS — CID 156760488

IUPAC2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccnc3)n[nH]c2c1
InChIInChI=1S/C23H25N7OS/c1-15-22(32-23(25-15)26-20(31)14-30-10-8-29(2)9-11-30)16-5-6-18-19(12-16)27-28-21(18)17-4-3-7-24-13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,28)(H,25,26,31)
InChIKeySQGJDOUFIABRAQ-UHFFFAOYSA-N
MW447.57 g/mol
LogP3.24
Rot. Bonds5

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

2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 156760488) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID156760488
Molecular FormulaC23H25N7OS
Molecular Weight447.57 g/mol
Exact Mass447.18
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccnc3)n[nH]c2c1
InChIInChI=1S/C23H25N7OS/c1-15-22(32-23(25-15)26-20(31)14-30-10-8-29(2)9-11-30)16-5-6-18-19(12-16)27-28-21(18)17-4-3-7-24-13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,28)(H,25,26,31)
InChIKeySQGJDOUFIABRAQ-UHFFFAOYSA-N
XLogP3.24
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide (CID 156760488) is 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cccnc3)n[nH]c2c1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is SQGJDOUFIABRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-15-22(32-23(25-15)26-20(31)14-30-10-8-29(2)9-11-30)16-5-6-18-19(12-16)27-28-21(18)17-4-3-7-24-13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,27,28)(H,25,26,31).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 447.57 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-(3-pyridin-3-yl-1H-indazol-6-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 156760488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).