N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H27N7O2S — CID 164547140

IUPACN-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(-c3ccccn3)sc12
InChIInChI=1S/C26H27N7O2S/c1-17-21(12-18(13-29-17)23(34)28-9-11-32-10-7-26(16-32)5-6-26)31-24(35)19-14-30-33-15-22(36-25(19)33)20-4-2-3-8-27-20/h2-4,8,12-15H,5-7,9-11,16H2,1H3,(H,28,34)(H,31,35)
InChIKeyDQFNSJRUKZRIRI-UHFFFAOYSA-N
MW501.62 g/mol
LogP3.63
Rot. Bonds7

About N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547140) has the molecular formula C26H27N7O2S and a molecular weight of 501.62 g/mol. Its IUPAC name is N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547140
Molecular FormulaC26H27N7O2S
Molecular Weight501.62 g/mol
Exact Mass501.19
IUPAC NameN-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(-c3ccccn3)sc12
InChIInChI=1S/C26H27N7O2S/c1-17-21(12-18(13-29-17)23(34)28-9-11-32-10-7-26(16-32)5-6-26)31-24(35)19-14-30-33-15-22(36-25(19)33)20-4-2-3-8-27-20/h2-4,8,12-15H,5-7,9-11,16H2,1H3,(H,28,34)(H,31,35)
InChIKeyDQFNSJRUKZRIRI-UHFFFAOYSA-N
XLogP3.63
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.62
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547140) is N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(-c3ccccn3)sc12.
What is the InChIKey of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is DQFNSJRUKZRIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2S/c1-17-21(12-18(13-29-17)23(34)28-9-11-32-10-7-26(16-32)5-6-26)31-24(35)19-14-30-33-15-22(36-25(19)33)20-4-2-3-8-27-20/h2-4,8,12-15H,5-7,9-11,16H2,1H3,(H,28,34)(H,31,35).
What are the key properties of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 501.62 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).