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

C26H32N8O3S — CID 164547136

IUPACN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3CO)sc12
InChIInChI=1S/C26H32N8O3S/c1-16-20(10-17(11-28-16)23(36)27-7-9-33-8-5-6-26(33,2)3)30-24(37)18-12-29-34-14-22(38-25(18)34)19-13-32(4)31-21(19)15-35/h10-14,35H,5-9,15H2,1-4H3,(H,27,36)(H,30,37)
InChIKeyDTOFZCQCJJOBBB-UHFFFAOYSA-N
MW536.66 g/mol
LogP2.85
Rot. Bonds8

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

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547136) has the molecular formula C26H32N8O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547136
Molecular FormulaC26H32N8O3S
Molecular Weight536.66 g/mol
Exact Mass536.23
IUPAC NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3CO)sc12
InChIInChI=1S/C26H32N8O3S/c1-16-20(10-17(11-28-16)23(36)27-7-9-33-8-5-6-26(33,2)3)30-24(37)18-12-29-34-14-22(38-25(18)34)19-13-32(4)31-21(19)15-35/h10-14,35H,5-9,15H2,1-4H3,(H,27,36)(H,30,37)
InChIKeyDTOFZCQCJJOBBB-UHFFFAOYSA-N
XLogP2.85
TPSA129.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.66
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547136) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cn(C)nc3CO)sc12.
What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is DTOFZCQCJJOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S/c1-16-20(10-17(11-28-16)23(36)27-7-9-33-8-5-6-26(33,2)3)30-24(37)18-12-29-34-14-22(38-25(18)34)19-13-32(4)31-21(19)15-35/h10-14,35H,5-9,15H2,1-4H3,(H,27,36)(H,30,37).
What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 536.66 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).