2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H28N8O2S — CID 164547193

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3C)sc12
InChIInChI=1S/C24H28N8O2S/c1-15-20(10-17(11-26-15)22(33)25-6-9-31-7-4-5-8-31)29-23(34)19-13-28-32-14-21(35-24(19)32)18-12-27-30(3)16(18)2/h10-14H,4-9H2,1-3H3,(H,25,33)(H,29,34)
InChIKeyVIFHMNYUMZJMCT-UHFFFAOYSA-N
MW492.61 g/mol
LogP2.89
Rot. Bonds7

About 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547193) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547193
Molecular FormulaC24H28N8O2S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3C)sc12
InChIInChI=1S/C24H28N8O2S/c1-15-20(10-17(11-26-15)22(33)25-6-9-31-7-4-5-8-31)29-23(34)19-13-28-32-14-21(35-24(19)32)18-12-27-30(3)16(18)2/h10-14H,4-9H2,1-3H3,(H,25,33)(H,29,34)
InChIKeyVIFHMNYUMZJMCT-UHFFFAOYSA-N
XLogP2.89
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547193) is 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3C)sc12.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is VIFHMNYUMZJMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-15-20(10-17(11-26-15)22(33)25-6-9-31-7-4-5-8-31)29-23(34)19-13-28-32-14-21(35-24(19)32)18-12-27-30(3)16(18)2/h10-14H,4-9H2,1-3H3,(H,25,33)(H,29,34).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).