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

C25H26N6OS — CID 156760483

IUPAC1-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C25H26N6OS/c1-16-23(33-25(27-16)28-24(32)17-10-13-31(2)14-11-17)18-6-8-20-21(29-30-22(20)15-18)9-7-19-5-3-4-12-26-19/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,29,30)(H,27,28,32)/b9-7+
InChIKeyIAKVOBINHZPFJG-VQHVLOKHSA-N
MW458.59 g/mol
LogP4.84
Rot. Bonds5

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

1-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 156760483) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is 1-methyl-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 Name1-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID156760483
Molecular FormulaC25H26N6OS
Molecular Weight458.59 g/mol
Exact Mass458.19
IUPAC Name1-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C25H26N6OS/c1-16-23(33-25(27-16)28-24(32)17-10-13-31(2)14-11-17)18-6-8-20-21(29-30-22(20)15-18)9-7-19-5-3-4-12-26-19/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,29,30)(H,27,28,32)/b9-7+
InChIKeyIAKVOBINHZPFJG-VQHVLOKHSA-N
XLogP4.84
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-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 1-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 156760483) is 1-methyl-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 1-methyl-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 1-methyl-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)C2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of 1-methyl-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 IAKVOBINHZPFJG-VQHVLOKHSA-N. The full InChI is InChI=1S/C25H26N6OS/c1-16-23(33-25(27-16)28-24(32)17-10-13-31(2)14-11-17)18-6-8-20-21(29-30-22(20)15-18)9-7-19-5-3-4-12-26-19/h3-9,12,15,17H,10-11,13-14H2,1-2H3,(H,29,30)(H,27,28,32)/b9-7+.
What are the key properties of 1-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-methyl-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 458.59 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-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 156760483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).