N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H28N8O2S — CID 164547126

IUPACN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cncnc3)sc12
InChIInChI=1S/C25H28N8O2S/c1-16-20(9-17(12-29-16)22(34)28-6-8-32-7-4-5-25(32,2)3)31-23(35)19-13-30-33-14-21(36-24(19)33)18-10-26-15-27-11-18/h9-15H,4-8H2,1-3H3,(H,28,34)(H,31,35)
InChIKeyDVARVCNUNROFKY-UHFFFAOYSA-N
MW504.62 g/mol
LogP3.41
Rot. Bonds7

About N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547126) has the molecular formula C25H28N8O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547126
Molecular FormulaC25H28N8O2S
Molecular Weight504.62 g/mol
Exact Mass504.21
IUPAC NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cncnc3)sc12
InChIInChI=1S/C25H28N8O2S/c1-16-20(9-17(12-29-16)22(34)28-6-8-32-7-4-5-25(32,2)3)31-23(35)19-13-30-33-14-21(36-24(19)33)18-10-26-15-27-11-18/h9-15H,4-8H2,1-3H3,(H,28,34)(H,31,35)
InChIKeyDVARVCNUNROFKY-UHFFFAOYSA-N
XLogP3.41
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[(E)-3-methoxyprop-1-enyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547209
N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547960
N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxy-1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 170635872
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1,2-thiazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635799
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 121292600
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
2,3-dihydroxybutanedioic acid;N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 90373713
N-[5-[2-(3,3-difluoroazetidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
CID 164547748
2-bromo-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548202
N-[5-[2-(azepan-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1,3-dimethylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547198
N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547898
N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride
CID 164547713

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547126) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cncnc3)sc12.
What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is DVARVCNUNROFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2S/c1-16-20(9-17(12-29-16)22(34)28-6-8-32-7-4-5-25(32,2)3)31-23(35)19-13-30-33-14-21(36-24(19)33)18-10-26-15-27-11-18/h9-15H,4-8H2,1-3H3,(H,28,34)(H,31,35).
What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 504.62 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrimidin-5-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).