N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C23H26N8O2S — CID 57428421

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CCN(c4nccs4)CC3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C23H26N8O2S/c1-15-12-16(2)31(28-15)20-13-19(26-22(27-20)18-5-4-17(3)33-18)25-21(32)14-29-7-9-30(10-8-29)23-24-6-11-34-23/h4-6,11-13H,7-10,14H2,1-3H3,(H,25,26,27,32)
InChIKeyCHIGUHKXUBLXFP-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.06
Rot. Bonds6

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 57428421) has the molecular formula C23H26N8O2S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID57428421
Molecular FormulaC23H26N8O2S
Molecular Weight478.58 g/mol
Exact Mass478.19
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CN3CCN(c4nccs4)CC3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C23H26N8O2S/c1-15-12-16(2)31(28-15)20-13-19(26-22(27-20)18-5-4-17(3)33-18)25-21(32)14-29-7-9-30(10-8-29)23-24-6-11-34-23/h4-6,11-13H,7-10,14H2,1-3H3,(H,25,26,27,32)
InChIKeyCHIGUHKXUBLXFP-UHFFFAOYSA-N
XLogP3.06
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 57428421) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is Cc1cc(C)n(-c2cc(NC(=O)CN3CCN(c4nccs4)CC3)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is CHIGUHKXUBLXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2S/c1-15-12-16(2)31(28-15)20-13-19(26-22(27-20)18-5-4-17(3)33-18)25-21(32)14-29-7-9-30(10-8-29)23-24-6-11-34-23/h4-6,11-13H,7-10,14H2,1-3H3,(H,25,26,27,32).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 478.58 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 57428421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).