2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C27H27FN8O2S — CID 3401288

IUPAC2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NCCc5c[nH]c6ccc(F)cc56)cs4)CC3)c(C)n2n1
InChIInChI=1S/C27H27FN8O2S/c1-15-11-23-32-33-24(16(2)36(23)34-15)27(38)35-9-6-17(7-10-35)26-31-22(14-39-26)25(37)29-8-5-18-13-30-21-4-3-19(28)12-20(18)21/h3-4,11-14,17,30H,5-10H2,1-2H3,(H,29,37)
InChIKeyGTDGSKSMELIRTA-UHFFFAOYSA-N
MW546.63 g/mol
LogP3.81
Rot. Bonds6

About 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 3401288) has the molecular formula C27H27FN8O2S and a molecular weight of 546.63 g/mol. Its IUPAC name is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID3401288
Molecular FormulaC27H27FN8O2S
Molecular Weight546.63 g/mol
Exact Mass546.20
IUPAC Name2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NCCc5c[nH]c6ccc(F)cc56)cs4)CC3)c(C)n2n1
InChIInChI=1S/C27H27FN8O2S/c1-15-11-23-32-33-24(16(2)36(23)34-15)27(38)35-9-6-17(7-10-35)26-31-22(14-39-26)25(37)29-8-5-18-13-30-21-4-3-19(28)12-20(18)21/h3-4,11-14,17,30H,5-10H2,1-2H3,(H,29,37)
InChIKeyGTDGSKSMELIRTA-UHFFFAOYSA-N
XLogP3.81
TPSA121.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.63
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(4-cyano-1,3-thiazol-2-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469617
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24968460
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070903
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070904
2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332249
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]ethanone
CID 89726091
N-(6-(4-(4-fluorophenyl)-1-(1-(2-hydroxyethyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl) thiazole-5-carboxamide
CID 76281814
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropyl) piperidin-4-yl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 76282082
N-(6-(1-(1-(2-amino-2-oxoethyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl) thiazole-5-carboxamide
CID 76282083
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl) piperidin-4-yl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 76282084
N-(6-(4-(4-fluorophenyl)-1-(2-morpholinoethyl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl) thiazole-5-carboxamide
CID 76282565

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 3401288) is 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)NCCc5c[nH]c6ccc(F)cc56)cs4)CC3)c(C)n2n1.
What is the InChIKey of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GTDGSKSMELIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN8O2S/c1-15-11-23-32-33-24(16(2)36(23)34-15)27(38)35-9-6-17(7-10-35)26-31-22(14-39-26)25(37)29-8-5-18-13-30-21-4-3-19(28)12-20(18)21/h3-4,11-14,17,30H,5-10H2,1-2H3,(H,29,37).
What are the key properties of 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 546.63 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3401288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).