N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C29H32FN7O3S — CID 170636029

IUPACN-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC23CCC3)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12
InChIInChI=1S/C29H32FN7O3S/c1-19-23(15-20(16-33-19)25(38)31-11-13-36-12-4-8-29(36)6-3-7-29)35-26(39)22-17-34-37-18-24(41-28(22)37)21-5-2-10-32-27(21)40-14-9-30/h2,5,10,15-18H,3-4,6-9,11-14H2,1H3,(H,31,38)(H,35,39)
InChIKeyJSWAHHNPSMXRNQ-UHFFFAOYSA-N
MW577.69 g/mol
LogP4.51
Rot. Bonds10

About N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170636029) has the molecular formula C29H32FN7O3S and a molecular weight of 577.69 g/mol. Its IUPAC name is N-[5-[2-(5-azaspiro[3.4]octan-5-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-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID170636029
Molecular FormulaC29H32FN7O3S
Molecular Weight577.69 g/mol
Exact Mass577.23
IUPAC NameN-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC23CCC3)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12
InChIInChI=1S/C29H32FN7O3S/c1-19-23(15-20(16-33-19)25(38)31-11-13-36-12-4-8-29(36)6-3-7-29)35-26(39)22-17-34-37-18-24(41-28(22)37)21-5-2-10-32-27(21)40-14-9-30/h2,5,10,15-18H,3-4,6-9,11-14H2,1H3,(H,31,38)(H,35,39)
InChIKeyJSWAHHNPSMXRNQ-UHFFFAOYSA-N
XLogP4.51
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.69
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-azaspiro[3.4]octan-5-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-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170636029) is N-[5-[2-(5-azaspiro[3.4]octan-5-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-(5-azaspiro[3.4]octan-5-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-(5-azaspiro[3.4]octan-5-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)NCCN2CCCC23CCC3)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12.
What is the InChIKey of N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is JSWAHHNPSMXRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O3S/c1-19-23(15-20(16-33-19)25(38)31-11-13-36-12-4-8-29(36)6-3-7-29)35-26(39)22-17-34-37-18-24(41-28(22)37)21-5-2-10-32-27(21)40-14-9-30/h2,5,10,15-18H,3-4,6-9,11-14H2,1H3,(H,31,38)(H,35,39).
What are the key properties of N-[5-[2-(5-azaspiro[3.4]octan-5-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(5-azaspiro[3.4]octan-5-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 577.69 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-azaspiro[3.4]octan-5-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 170636029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).