N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

C24H30F2N8O2S — CID 164548352

IUPACN-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
SMILESCc1ncc(C(=O)NCCN2CCCC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.[H][H].[H][H]
InChIInChI=1S/C24H26F2N8O2S.2H2/c1-15-19(8-16(9-28-15)21(35)27-5-7-33-6-3-4-24(25,26)14-33)31-22(36)18-11-30-34-13-20(37-23(18)34)17-10-29-32(2)12-17;;/h8-13H,3-7,14H2,1-2H3,(H,27,35)(H,31,36);2*1H
InChIKeyUEZKPRIXOFXQKW-UHFFFAOYSA-N
MW532.62 g/mol
LogP3.70
Rot. Bonds7

About N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (PubChem CID 164548352) has the molecular formula C24H30F2N8O2S and a molecular weight of 532.62 g/mol. Its IUPAC name is N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
PubChem CID164548352
Molecular FormulaC24H30F2N8O2S
Molecular Weight532.62 g/mol
Exact Mass532.22
IUPAC NameN-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
SMILESCc1ncc(C(=O)NCCN2CCCC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.[H][H].[H][H]
InChIInChI=1S/C24H26F2N8O2S.2H2/c1-15-19(8-16(9-28-15)21(35)27-5-7-33-6-3-4-24(25,26)14-33)31-22(36)18-11-30-34-13-20(37-23(18)34)17-10-29-32(2)12-17;;/h8-13H,3-7,14H2,1-2H3,(H,27,35)(H,31,36);2*1H
InChIKeyUEZKPRIXOFXQKW-UHFFFAOYSA-N
XLogP3.70
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 2099780
3-(2-Fluorophenyl)-1-methyl-N-(pyridin-3-YL)-1H-thieno[2,3-C]pyrazole-5-carboxamide
CID 20857618
1-cyclohexyl-3-methyl-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57697909
1-cyclohexyl-3-methyl-N-[6-(4-methyl-1,4-diazepane-1-carbonyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57697931
1-cyclohexyl-N-[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57697977
1-cyclohexyl-N-[6-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698040
N-[6-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698146
1-cyclohexyl-3-methyl-N-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698197
1-cyclohexyl-3-methyl-N-[6-(methylcarbamoyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698212
3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155559409
3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-2-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 155563678
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 122180991

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The IUPAC name of N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164548352) is N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The canonical SMILES for N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is Cc1ncc(C(=O)NCCN2CCCC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.[H][H].[H][H].
What is the InChIKey of N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The InChIKey is UEZKPRIXOFXQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O2S.2H2/c1-15-19(8-16(9-28-15)21(35)27-5-7-33-6-3-4-24(25,26)14-33)31-22(36)18-11-30-34-13-20(37-23(18)34)17-10-29-32(2)12-17;;/h8-13H,3-7,14H2,1-2H3,(H,27,35)(H,31,36);2*1H.
What are the key properties of N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen has a molecular weight of 532.62 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,3-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 164548352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).