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

C23H28F2N8O2S — CID 164547215

IUPACN-[5-[2-(3,3-difluoropyrrolidin-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)NCCN2CCC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.[H][H].[H][H]
InChIInChI=1S/C23H24F2N8O2S.2H2/c1-14-18(7-15(8-27-14)20(34)26-4-6-32-5-3-23(24,25)13-32)30-21(35)17-10-29-33-12-19(36-22(17)33)16-9-28-31(2)11-16;;/h7-12H,3-6,13H2,1-2H3,(H,26,34)(H,30,35);2*1H
InChIKeyDYUJMMICRSDDHZ-UHFFFAOYSA-N
MW518.59 g/mol
LogP3.31
Rot. Bonds7

About N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-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 164547215) has the molecular formula C23H28F2N8O2S and a molecular weight of 518.59 g/mol. Its IUPAC name is N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
PubChem CID164547215
Molecular FormulaC23H28F2N8O2S
Molecular Weight518.59 g/mol
Exact Mass518.20
IUPAC NameN-[5-[2-(3,3-difluoropyrrolidin-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)NCCN2CCC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.[H][H].[H][H]
InChIInChI=1S/C23H24F2N8O2S.2H2/c1-14-18(7-15(8-27-14)20(34)26-4-6-32-5-3-23(24,25)13-32)30-21(35)17-10-29-33-12-19(36-22(17)33)16-9-28-31(2)11-16;;/h7-12H,3-6,13H2,1-2H3,(H,26,34)(H,30,35);2*1H
InChIKeyDYUJMMICRSDDHZ-UHFFFAOYSA-N
XLogP3.31
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.59
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[2-(3,3-difluoropyrrolidin-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

3-(2-Fluorophenyl)-1-methyl-N-(pyridin-3-YL)-1H-thieno[2,3-C]pyrazole-5-carboxamide
CID 20857618
1-cyclohexyl-N-[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57697977
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)-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
3-amino-N-[2-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)-3-fluorophenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 153311035
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[5-(1-methylpyrazol-4-yl)thiophene-2-carbonyl]amino]pyrrole-2-carboxamide
CID 122180984
3-methyl-1-phenyl-N-(pyridin-3-yl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 4133203
US12304916, Example 52
CID 155590278
US12304916, Example 51
CID 155590324

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164547215) is N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-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-difluoropyrrolidin-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)NCCN2CCC(F)(F)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.[H][H].[H][H].
What is the InChIKey of N-[5-[2-(3,3-difluoropyrrolidin-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 DYUJMMICRSDDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O2S.2H2/c1-14-18(7-15(8-27-14)20(34)26-4-6-32-5-3-23(24,25)13-32)30-21(35)17-10-29-33-12-19(36-22(17)33)16-9-28-31(2)11-16;;/h7-12H,3-6,13H2,1-2H3,(H,26,34)(H,30,35);2*1H.
What are the key properties of N-[5-[2-(3,3-difluoropyrrolidin-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-difluoropyrrolidin-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 518.59 g/mol, XLogP of 3.31, 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-difluoropyrrolidin-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 164547215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).