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

C23H26N8O2S — CID 164547096

IUPAC2-(1-methylpyrazol-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)c3)sc12
InChIInChI=1S/C23H26N8O2S/c1-15-19(9-16(10-25-15)21(32)24-5-8-30-6-3-4-7-30)28-22(33)18-12-27-31-14-20(34-23(18)31)17-11-26-29(2)13-17/h9-14H,3-8H2,1-2H3,(H,24,32)(H,28,33)
InChIKeyAOSBBFMCNOJMFS-UHFFFAOYSA-N
MW478.58 g/mol
LogP2.58
Rot. Bonds7

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

2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547096) has the molecular formula C23H26N8O2S and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-(1-methylpyrazol-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-methylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547096
Molecular FormulaC23H26N8O2S
Molecular Weight478.58 g/mol
Exact Mass478.19
IUPAC Name2-(1-methylpyrazol-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)c3)sc12
InChIInChI=1S/C23H26N8O2S/c1-15-19(9-16(10-25-15)21(32)24-5-8-30-6-3-4-7-30)28-22(33)18-12-27-31-14-20(34-23(18)31)17-11-26-29(2)13-17/h9-14H,3-8H2,1-2H3,(H,24,32)(H,28,33)
InChIKeyAOSBBFMCNOJMFS-UHFFFAOYSA-N
XLogP2.58
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-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-methylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547096) is 2-(1-methylpyrazol-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-methylpyrazol-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-methylpyrazol-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)c3)sc12.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is AOSBBFMCNOJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2S/c1-15-19(9-16(10-25-15)21(32)24-5-8-30-6-3-4-7-30)28-22(33)18-12-27-31-14-20(34-23(18)31)17-11-26-29(2)13-17/h9-14H,3-8H2,1-2H3,(H,24,32)(H,28,33).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(1-methylpyrazol-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 478.58 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-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 164547096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).