N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H30N8O2S — CID 164547327

IUPACN-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCC23CCC3)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C)sc12
InChIInChI=1S/C26H30N8O2S/c1-16-20(14-32(3)31-16)22-15-34-25(37-22)19(13-29-34)24(36)30-21-11-18(12-28-17(21)2)23(35)27-8-10-33-9-7-26(33)5-4-6-26/h11-15H,4-10H2,1-3H3,(H,27,35)(H,30,36)
InChIKeyXMTRZGRTDYCCLJ-UHFFFAOYSA-N
MW518.65 g/mol
LogP3.42
Rot. Bonds7

About N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547327) has the molecular formula C26H30N8O2S and a molecular weight of 518.65 g/mol. Its IUPAC name is N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547327
Molecular FormulaC26H30N8O2S
Molecular Weight518.65 g/mol
Exact Mass518.22
IUPAC NameN-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCC23CCC3)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C)sc12
InChIInChI=1S/C26H30N8O2S/c1-16-20(14-32(3)31-16)22-15-34-25(37-22)19(13-29-34)24(36)30-21-11-18(12-28-17(21)2)23(35)27-8-10-33-9-7-26(33)5-4-6-26/h11-15H,4-10H2,1-3H3,(H,27,35)(H,30,36)
InChIKeyXMTRZGRTDYCCLJ-UHFFFAOYSA-N
XLogP3.42
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.65
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547327) is N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCC23CCC3)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3C)sc12.
What is the InChIKey of N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is XMTRZGRTDYCCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2S/c1-16-20(14-32(3)31-16)22-15-34-25(37-22)19(13-29-34)24(36)30-21-11-18(12-28-17(21)2)23(35)27-8-10-33-9-7-26(33)5-4-6-26/h11-15H,4-10H2,1-3H3,(H,27,35)(H,30,36).
What are the key properties of N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 518.65 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1-azaspiro[3.3]heptan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).