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

C18H22N6O2 — CID 16881983

IUPAC3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)(C)n1ncc2c(=O)n(CCC(=O)NCc3ccccn3)cnc21
InChIInChI=1S/C18H22N6O2/c1-18(2,3)24-16-14(11-22-24)17(26)23(12-21-16)9-7-15(25)20-10-13-6-4-5-8-19-13/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,20,25)
InChIKeyVFPONHKHKYYDNM-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.45
Rot. Bonds5

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

3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 16881983) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID16881983
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)(C)n1ncc2c(=O)n(CCC(=O)NCc3ccccn3)cnc21
InChIInChI=1S/C18H22N6O2/c1-18(2,3)24-16-14(11-22-24)17(26)23(12-21-16)9-7-15(25)20-10-13-6-4-5-8-19-13/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,20,25)
InChIKeyVFPONHKHKYYDNM-UHFFFAOYSA-N
XLogP1.45
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethylpropanamide
CID 16881949
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methoxyphenyl)propanamide
CID 16882022
3-[7-(3-fluorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46324066
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16882084
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16882089
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 18586642
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 3245361
ethyl 2-[[2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate
CID 3243625
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide
CID 18586643

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 16881983) is 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide is CC(C)(C)n1ncc2c(=O)n(CCC(=O)NCc3ccccn3)cnc21.
What is the InChIKey of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is VFPONHKHKYYDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-18(2,3)24-16-14(11-22-24)17(26)23(12-21-16)9-7-15(25)20-10-13-6-4-5-8-19-13/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,20,25).
What are the key properties of 3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 16881983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).