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

C24H24N6OS — CID 156760475

IUPACN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C24H24N6OS/c1-15-22(32-24(27-15)28-23(31)16-9-12-25-13-10-16)17-5-7-19-20(29-30-21(19)14-17)8-6-18-4-2-3-11-26-18/h2-8,11,14,16,25H,9-10,12-13H2,1H3,(H,29,30)(H,27,28,31)/b8-6+
InChIKeyGAGOETVYESXLFK-SOFGYWHQSA-N
MW444.56 g/mol
LogP4.50
Rot. Bonds5

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

N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 156760475) has the molecular formula C24H24N6OS and a molecular weight of 444.56 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]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID156760475
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC NameN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C24H24N6OS/c1-15-22(32-24(27-15)28-23(31)16-9-12-25-13-10-16)17-5-7-19-20(29-30-21(19)14-17)8-6-18-4-2-3-11-26-18/h2-8,11,14,16,25H,9-10,12-13H2,1H3,(H,29,30)(H,27,28,31)/b8-6+
InChIKeyGAGOETVYESXLFK-SOFGYWHQSA-N
XLogP4.50
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.50
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]piperidine-4-carboxamide?
The IUPAC name of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 156760475) is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
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]piperidine-4-carboxamide?
The canonical SMILES for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1nc(NC(=O)C2CCNCC2)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]piperidine-4-carboxamide?
The InChIKey is GAGOETVYESXLFK-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H24N6OS/c1-15-22(32-24(27-15)28-23(31)16-9-12-25-13-10-16)17-5-7-19-20(29-30-21(19)14-17)8-6-18-4-2-3-11-26-18/h2-8,11,14,16,25H,9-10,12-13H2,1H3,(H,29,30)(H,27,28,31)/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]piperidine-4-carboxamide?
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 4.50, 5 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]piperidine-4-carboxamide is sourced from PubChem (CID 156760475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).