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

C25H34N6O3S — CID 164547118

IUPACN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOCCCc1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4(C)C)cnc3C)c2s1
InChIInChI=1S/C25H34N6O3S/c1-17-21(13-18(14-27-17)22(32)26-9-11-30-10-6-8-25(30,2)3)29-23(33)20-15-28-31-16-19(35-24(20)31)7-5-12-34-4/h13-16H,5-12H2,1-4H3,(H,26,32)(H,29,33)
InChIKeyPAGLODDYSHHUBF-UHFFFAOYSA-N
MW498.65 g/mol
LogP3.53
Rot. Bonds10

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

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547118) has the molecular formula C25H34N6O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)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-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547118
Molecular FormulaC25H34N6O3S
Molecular Weight498.65 g/mol
Exact Mass498.24
IUPAC NameN-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOCCCc1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4(C)C)cnc3C)c2s1
InChIInChI=1S/C25H34N6O3S/c1-17-21(13-18(14-27-17)22(32)26-9-11-30-10-6-8-25(30,2)3)29-23(33)20-15-28-31-16-19(35-24(20)31)7-5-12-34-4/h13-16H,5-12H2,1-4H3,(H,26,32)(H,29,33)
InChIKeyPAGLODDYSHHUBF-UHFFFAOYSA-N
XLogP3.53
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)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-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547118) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)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-methoxypropyl)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-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COCCCc1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC4(C)C)cnc3C)c2s1.
What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is PAGLODDYSHHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3S/c1-17-21(13-18(14-27-17)22(32)26-9-11-30-10-6-8-25(30,2)3)29-23(33)20-15-28-31-16-19(35-24(20)31)7-5-12-34-4/h13-16H,5-12H2,1-4H3,(H,26,32)(H,29,33).
What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(3-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 498.65 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 8 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-methoxypropyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).