tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

C22H24N8O4S — CID 137450333

About tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate

tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (PubChem CID 137450333) has the molecular formula C22H24N8O4S and a molecular weight of 496.55 g/mol. Its IUPAC name is tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• PubChem CID: 137450333
• Molecular Formula: C22H24N8O4S
• Molecular Weight: 496.55 g/mol
• Exact Mass: 496.16
• IUPAC Name: tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
• SMILES: Cc1cnc(-n2cccc(Nc3cc(N(C)C(=O)OC(C)(C)C)n4ncc(C(N)=O)c4n3)c2=O)s1
• InChI: InChI=1S/C22H24N8O4S/c1-12-10-24-20(35-12)29-8-6-7-14(19(29)32)26-15-9-16(28(5)21(33)34-22(2,3)4)30-18(27-15)13(11-25-30)17(23)31/h6-11H,1-5H3,(H2,23,31)(H,26,27)
• InChIKey: PNKMIUJKPCAFRA-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 149.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.55
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate (CID 137450333) is tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is Cc1cnc(-n2cccc(Nc3cc(N(C)C(=O)OC(C)(C)C)n4ncc(C(N)=O)c4n3)c2=O)s1.

What is the InChIKey of tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

The InChIKey is PNKMIUJKPCAFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O4S/c1-12-10-24-20(35-12)29-8-6-7-14(19(29)32)26-15-9-16(28(5)21(33)34-22(2,3)4)30-18(27-15)13(11-25-30)17(23)31/h6-11H,1-5H3,(H2,23,31)(H,26,27).

What are the key properties of tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate?

tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate has a molecular weight of 496.55 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-carbamoyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate is sourced from PubChem (CID 137450333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).