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

C24H30N8O2S — CID 167139040

IUPACN-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(NC(=O)CCN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C24H30N8O2S/c1-15-19(7-17(9-25-15)28-21(33)5-6-31-13-24(2,3)14-31)29-22(34)18-10-27-32-12-20(35-23(18)32)16-8-26-30(4)11-16/h7-12,15,25H,5-6,13-14H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyYCYZIZNEAHTFJS-UHFFFAOYSA-N
MW494.63 g/mol
LogP2.09
Rot. Bonds7

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

N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 167139040) has the molecular formula C24H30N8O2S and a molecular weight of 494.63 g/mol. Its IUPAC name is N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID167139040
Molecular FormulaC24H30N8O2S
Molecular Weight494.63 g/mol
Exact Mass494.22
IUPAC NameN-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC1NC=C(NC(=O)CCN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
InChIInChI=1S/C24H30N8O2S/c1-15-19(7-17(9-25-15)28-21(33)5-6-31-13-24(2,3)14-31)29-22(34)18-10-27-32-12-20(35-23(18)32)16-8-26-30(4)11-16/h7-12,15,25H,5-6,13-14H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyYCYZIZNEAHTFJS-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 167139040) is N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC1NC=C(NC(=O)CCN2CC(C)(C)C2)C=C1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.
What is the InChIKey of N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is YCYZIZNEAHTFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2S/c1-15-19(7-17(9-25-15)28-21(33)5-6-31-13-24(2,3)14-31)29-22(34)18-10-27-32-12-20(35-23(18)32)16-8-26-30(4)11-16/h7-12,15,25H,5-6,13-14H2,1-4H3,(H,28,33)(H,29,34).
What are the key properties of N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 494.63 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3,3-dimethylazetidin-1-yl)propanoylamino]-2-methyl-1,2-dihydropyridin-3-yl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 167139040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).