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

C26H28N6OS — CID 156760485

IUPAC2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CC2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C26H28N6OS/c1-17-25(34-26(28-17)29-24(33)15-18-10-13-32(2)14-11-18)19-6-8-21-22(30-31-23(21)16-19)9-7-20-5-3-4-12-27-20/h3-9,12,16,18H,10-11,13-15H2,1-2H3,(H,30,31)(H,28,29,33)/b9-7+
InChIKeyROWNHEWYCODUJP-VQHVLOKHSA-N
MW472.62 g/mol
LogP5.23
Rot. Bonds6

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

2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 156760485) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID156760485
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CC2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C26H28N6OS/c1-17-25(34-26(28-17)29-24(33)15-18-10-13-32(2)14-11-18)19-6-8-21-22(30-31-23(21)16-19)9-7-20-5-3-4-12-27-20/h3-9,12,16,18H,10-11,13-15H2,1-2H3,(H,30,31)(H,28,29,33)/b9-7+
InChIKeyROWNHEWYCODUJP-VQHVLOKHSA-N
XLogP5.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.62
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide (CID 156760485) is 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)CC2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ROWNHEWYCODUJP-VQHVLOKHSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-17-25(34-26(28-17)29-24(33)15-18-10-13-32(2)14-11-18)19-6-8-21-22(30-31-23(21)16-19)9-7-20-5-3-4-12-27-20/h3-9,12,16,18H,10-11,13-15H2,1-2H3,(H,30,31)(H,28,29,33)/b9-7+.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 472.62 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 156760485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).