N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C26H24N6O2S — CID 23990974

IUPACN-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C26H24N6O2S/c33-24(11-18-13-27-21-4-2-1-3-20(18)21)32-9-7-16(8-10-32)26-30-23(15-35-26)25(34)29-19-6-5-17-14-28-31-22(17)12-19/h1-6,12-16,27H,7-11H2,(H,28,31)(H,29,34)
InChIKeyWCEBLITVUFNUNK-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.70
Rot. Bonds5

About N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 23990974) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID23990974
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC NameN-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C26H24N6O2S/c33-24(11-18-13-27-21-4-2-1-3-20(18)21)32-9-7-16(8-10-32)26-30-23(15-35-26)25(34)29-19-6-5-17-14-28-31-22(17)12-19/h1-6,12-16,27H,7-11H2,(H,28,31)(H,29,34)
InChIKeyWCEBLITVUFNUNK-UHFFFAOYSA-N
XLogP4.70
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N'-(1-methylpyrrole-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3827500
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3729178
N-(3,3-diphenylpropyl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3734688
4-[4-(1H-indazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250045
1-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 3573444
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 3682252
2-(1H-indol-3-yl)-1-[4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3338138
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
N-(1,1-dioxothiolan-3-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 3869986
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 4999345
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4986303
N-[4-[5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53032106

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 23990974) is N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WCEBLITVUFNUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c33-24(11-18-13-27-21-4-2-1-3-20(18)21)32-9-7-16(8-10-32)26-30-23(15-35-26)25(34)29-19-6-5-17-14-28-31-22(17)12-19/h1-6,12-16,27H,7-11H2,(H,28,31)(H,29,34).
What are the key properties of N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 484.59 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23990974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).