N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C23H24F2N8O2S — CID 164547924

IUPACN-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCC(F)(F)CC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C23H24F2N8O2S/c1-14-18(7-16(9-26-14)29-20(34)13-32-5-3-23(24,25)4-6-32)30-21(35)17-10-28-33-12-19(36-22(17)33)15-8-27-31(2)11-15/h7-12H,3-6,13H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyYHSITKJNNKMNED-UHFFFAOYSA-N
MW514.56 g/mol
LogP3.42
Rot. Bonds6

About N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547924) has the molecular formula C23H24F2N8O2S and a molecular weight of 514.56 g/mol. Its IUPAC name is N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547924
Molecular FormulaC23H24F2N8O2S
Molecular Weight514.56 g/mol
Exact Mass514.17
IUPAC NameN-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCC(F)(F)CC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C23H24F2N8O2S/c1-14-18(7-16(9-26-14)29-20(34)13-32-5-3-23(24,25)4-6-32)30-21(35)17-10-28-33-12-19(36-22(17)33)15-8-27-31(2)11-15/h7-12H,3-6,13H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyYHSITKJNNKMNED-UHFFFAOYSA-N
XLogP3.42
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Related Compounds

5-amino-N-[4-[(3R,4S,5S)-3-amino-5-methyl-4-(triazol-1-yl)piperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 90055886
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464877
3-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]-N-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 124120423
1-(thieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1H-pyrazole-4-carboxamide
CID 134609891
5-[[1-(Piperidin-4-ylmethyl)pyrazole-4-carbonyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71060953
[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 56824923
US20240109917, Example 428
CID 164547211
US20240109917, Example 120
CID 164547216
US20240109917, Example 49
CID 164547266
US20240109917, Example 227
CID 164547466
US20240109917, Example 152
CID 164547630
US20240109917, Example 157
CID 164547644

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547924) is N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCC(F)(F)CC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.
What is the InChIKey of N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is YHSITKJNNKMNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O2S/c1-14-18(7-16(9-26-14)29-20(34)13-32-5-3-23(24,25)4-6-32)30-21(35)17-10-28-33-12-19(36-22(17)33)15-8-27-31(2)11-15/h7-12H,3-6,13H2,1-2H3,(H,29,34)(H,30,35).
What are the key properties of N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).