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

C28H32FN7O3S — CID 170635974

IUPACN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12
InChIInChI=1S/C28H32FN7O3S/c1-18-22(14-19(15-32-18)24(37)30-10-12-35-11-5-7-28(35,2)3)34-25(38)21-16-33-36-17-23(40-27(21)36)20-6-4-9-31-26(20)39-13-8-29/h4,6,9,14-17H,5,7-8,10-13H2,1-3H3,(H,30,37)(H,34,38)
InChIKeyBPYYJGGUDBCNHV-UHFFFAOYSA-N
MW565.68 g/mol
LogP4.37
Rot. Bonds10

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

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170635974) has the molecular formula C28H32FN7O3S and a molecular weight of 565.68 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[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-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID170635974
Molecular FormulaC28H32FN7O3S
Molecular Weight565.68 g/mol
Exact Mass565.23
IUPAC NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12
InChIInChI=1S/C28H32FN7O3S/c1-18-22(14-19(15-32-18)24(37)30-10-12-35-11-5-7-28(35,2)3)34-25(38)21-16-33-36-17-23(40-27(21)36)20-6-4-9-31-26(20)39-13-8-29/h4,6,9,14-17H,5,7-8,10-13H2,1-3H3,(H,30,37)(H,34,38)
InChIKeyBPYYJGGUDBCNHV-UHFFFAOYSA-N
XLogP4.37
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.68
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[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-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170635974) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[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-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[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-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12.
What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is BPYYJGGUDBCNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O3S/c1-18-22(14-19(15-32-18)24(37)30-10-12-35-11-5-7-28(35,2)3)34-25(38)21-16-33-36-17-23(40-27(21)36)20-6-4-9-31-26(20)39-13-8-29/h4,6,9,14-17H,5,7-8,10-13H2,1-3H3,(H,30,37)(H,34,38).
What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 565.68 g/mol, XLogP of 4.37, 10 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-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 170635974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).