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

C25H26N6OS — CID 156760479

IUPACN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide
SMILESCc1nc(NC(=O)CC2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C25H26N6OS/c1-16-24(33-25(28-16)29-23(32)14-17-9-12-26-13-10-17)18-5-7-20-21(30-31-22(20)15-18)8-6-19-4-2-3-11-27-19/h2-8,11,15,17,26H,9-10,12-14H2,1H3,(H,30,31)(H,28,29,32)/b8-6+
InChIKeyAVSRROOJMZDFQA-SOFGYWHQSA-N
MW458.59 g/mol
LogP4.89
Rot. Bonds6

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

N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide (PubChem CID 156760479) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide
PubChem CID156760479
Molecular FormulaC25H26N6OS
Molecular Weight458.59 g/mol
Exact Mass458.19
IUPAC NameN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide
SMILESCc1nc(NC(=O)CC2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C25H26N6OS/c1-16-24(33-25(28-16)29-23(32)14-17-9-12-26-13-10-17)18-5-7-20-21(30-31-22(20)15-18)8-6-19-4-2-3-11-27-19/h2-8,11,15,17,26H,9-10,12-14H2,1H3,(H,30,31)(H,28,29,32)/b8-6+
InChIKeyAVSRROOJMZDFQA-SOFGYWHQSA-N
XLogP4.89
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide (CID 156760479) is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide is Cc1nc(NC(=O)CC2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide?
The InChIKey is AVSRROOJMZDFQA-SOFGYWHQSA-N. The full InChI is InChI=1S/C25H26N6OS/c1-16-24(33-25(28-16)29-23(32)14-17-9-12-26-13-10-17)18-5-7-20-21(30-31-22(20)15-18)8-6-19-4-2-3-11-27-19/h2-8,11,15,17,26H,9-10,12-14H2,1H3,(H,30,31)(H,28,29,32)/b8-6+.
What are the key properties of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide?
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide has a molecular weight of 458.59 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 156760479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).