N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

C26H31N7O2S — CID 164547887

IUPACN-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
SMILESCc1ncc(C(=O)NCCN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12.[H][H].[H][H]
InChIInChI=1S/C26H27N7O2S.2H2/c1-17-21(12-19(13-29-17)23(34)28-9-11-32-10-6-26(16-32)4-5-26)31-24(35)20-14-30-33-15-22(36-25(20)33)18-2-7-27-8-3-18;;/h2-3,7-8,12-15H,4-6,9-11,16H2,1H3,(H,28,34)(H,31,35);2*1H
InChIKeyQIWOKAOSRIZOJV-UHFFFAOYSA-N
MW505.65 g/mol
LogP4.12
Rot. Bonds7

About N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (PubChem CID 164547887) has the molecular formula C26H31N7O2S and a molecular weight of 505.65 g/mol. Its IUPAC name is N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
PubChem CID164547887
Molecular FormulaC26H31N7O2S
Molecular Weight505.65 g/mol
Exact Mass505.23
IUPAC NameN-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
SMILESCc1ncc(C(=O)NCCN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12.[H][H].[H][H]
InChIInChI=1S/C26H27N7O2S.2H2/c1-17-21(12-19(13-29-17)23(34)28-9-11-32-10-6-26(16-32)4-5-26)31-24(35)20-14-30-33-15-22(36-25(20)33)18-2-7-27-8-3-18;;/h2-3,7-8,12-15H,4-6,9-11,16H2,1H3,(H,28,34)(H,31,35);2*1H
InChIKeyQIWOKAOSRIZOJV-UHFFFAOYSA-N
XLogP4.12
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.65
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen with MolForge

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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-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The IUPAC name of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164547887) is N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The canonical SMILES for N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is Cc1ncc(C(=O)NCCN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12.[H][H].[H][H].
What is the InChIKey of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The InChIKey is QIWOKAOSRIZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2S.2H2/c1-17-21(12-19(13-29-17)23(34)28-9-11-32-10-6-26(16-32)4-5-26)31-24(35)20-14-30-33-15-22(36-25(20)33)18-2-7-27-8-3-18;;/h2-3,7-8,12-15H,4-6,9-11,16H2,1H3,(H,28,34)(H,31,35);2*1H.
What are the key properties of N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
N-[5-[2-(5-azaspiro[2.4]heptan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen has a molecular weight of 505.65 g/mol, XLogP of 4.12, 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-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 164547887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).