N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H28F2N8O2S — CID 164547679

IUPACN-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CC3CCC2CC3)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)F)c3)sc12
InChIInChI=1S/C26H28F2N8O2S/c1-15-21(8-17(9-30-15)23(37)29-6-7-34-12-16-2-4-19(34)5-3-16)33-24(38)20-11-32-35-14-22(39-25(20)35)18-10-31-36(13-18)26(27)28/h8-11,13-14,16,19,26H,2-7,12H2,1H3,(H,29,37)(H,33,38)
InChIKeyZMUGEPBCMYVQRT-UHFFFAOYSA-N
MW554.63 g/mol
LogP4.21
Rot. Bonds8

About N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547679) has the molecular formula C26H28F2N8O2S and a molecular weight of 554.63 g/mol. Its IUPAC name is N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547679
Molecular FormulaC26H28F2N8O2S
Molecular Weight554.63 g/mol
Exact Mass554.20
IUPAC NameN-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CC3CCC2CC3)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)F)c3)sc12
InChIInChI=1S/C26H28F2N8O2S/c1-15-21(8-17(9-30-15)23(37)29-6-7-34-12-16-2-4-19(34)5-3-16)33-24(38)20-11-32-35-14-22(39-25(20)35)18-10-31-36(13-18)26(27)28/h8-11,13-14,16,19,26H,2-7,12H2,1H3,(H,29,37)(H,33,38)
InChIKeyZMUGEPBCMYVQRT-UHFFFAOYSA-N
XLogP4.21
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.63
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]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-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547679) is N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CC3CCC2CC3)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)F)c3)sc12.
What is the InChIKey of N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is ZMUGEPBCMYVQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N8O2S/c1-15-21(8-17(9-30-15)23(37)29-6-7-34-12-16-2-4-19(34)5-3-16)33-24(38)20-11-32-35-14-22(39-25(20)35)18-10-31-36(13-18)26(27)28/h8-11,13-14,16,19,26H,2-7,12H2,1H3,(H,29,37)(H,33,38).
What are the key properties of N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 554.63 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-azabicyclo[2.2.2]octan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).