N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H30N8O2S — CID 167138713

IUPACN-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(C(=O)NCCN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12
InChIInChI=1S/C24H30N8O2S/c1-15-18(7-16(8-26-15)21(33)25-5-6-31-12-24(2,3)13-31)29-22(34)17-9-28-32-11-20(35-23(17)32)19-10-30(4)14-27-19/h7-11,14-15,26H,5-6,12-13H2,1-4H3,(H,25,33)(H,29,34)
InChIKeyNLXCMUZNMBLYKS-UHFFFAOYSA-N
MW494.63 g/mol
LogP1.74
Rot. Bonds7

About N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167138713) has the molecular formula C24H30N8O2S and a molecular weight of 494.63 g/mol. Its IUPAC name is N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID167138713
Molecular FormulaC24H30N8O2S
Molecular Weight494.63 g/mol
Exact Mass494.22
IUPAC NameN-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(C(=O)NCCN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12
InChIInChI=1S/C24H30N8O2S/c1-15-18(7-16(8-26-15)21(33)25-5-6-31-12-24(2,3)13-31)29-22(34)17-9-28-32-11-20(35-23(17)32)19-10-30(4)14-27-19/h7-11,14-15,26H,5-6,12-13H2,1-4H3,(H,25,33)(H,29,34)
InChIKeyNLXCMUZNMBLYKS-UHFFFAOYSA-N
XLogP1.74
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167138713) is N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC1NC=C(C(=O)NCCN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cn(C)cn3)sc12.
What is the InChIKey of N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is NLXCMUZNMBLYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2S/c1-15-18(7-16(8-26-15)21(33)25-5-6-31-12-24(2,3)13-31)29-22(34)17-9-28-32-11-20(35-23(17)32)19-10-30(4)14-27-19/h7-11,14-15,26H,5-6,12-13H2,1-4H3,(H,25,33)(H,29,34).
What are the key properties of N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 494.63 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,3-dimethylazetidin-1-yl)ethylcarbamoyl]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylimidazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167138713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).