3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C16H20N6O2S — CID 16882080

IUPAC3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)n1
InChIInChI=1S/C16H20N6O2S/c1-10-8-25-15(19-10)20-12(23)5-6-21-9-17-13-11(14(21)24)7-18-22(13)16(2,3)4/h7-9H,5-6H2,1-4H3,(H,19,20,23)
InChIKeyWQPNSFOHYVNENB-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.14
Rot. Bonds4

About 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 16882080) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID16882080
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)n1
InChIInChI=1S/C16H20N6O2S/c1-10-8-25-15(19-10)20-12(23)5-6-21-9-17-13-11(14(21)24)7-18-22(13)16(2,3)4/h7-9H,5-6H2,1-4H3,(H,19,20,23)
InChIKeyWQPNSFOHYVNENB-UHFFFAOYSA-N
XLogP2.14
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 16882080) is 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)n1.
What is the InChIKey of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WQPNSFOHYVNENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-10-8-25-15(19-10)20-12(23)5-6-21-9-17-13-11(14(21)24)7-18-22(13)16(2,3)4/h7-9H,5-6H2,1-4H3,(H,19,20,23).
What are the key properties of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 360.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16882080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).