3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide

C23H26N6O2 — CID 16881880

IUPAC3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide
SMILESCc1cc(NC(=O)CCn2c(C)nc3c(cnn3C(C)(C)C)c2=O)c2ccccc2n1
InChIInChI=1S/C23H26N6O2/c1-14-12-19(16-8-6-7-9-18(16)25-14)27-20(30)10-11-28-15(2)26-21-17(22(28)31)13-24-29(21)23(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,27,30)
InChIKeyDYZZBZQYUUMKLX-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.54
Rot. Bonds4

About 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide

3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide (PubChem CID 16881880) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide
PubChem CID16881880
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide
SMILESCc1cc(NC(=O)CCn2c(C)nc3c(cnn3C(C)(C)C)c2=O)c2ccccc2n1
InChIInChI=1S/C23H26N6O2/c1-14-12-19(16-8-6-7-9-18(16)25-14)27-20(30)10-11-28-15(2)26-21-17(22(28)31)13-24-29(21)23(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,27,30)
InChIKeyDYZZBZQYUUMKLX-UHFFFAOYSA-N
XLogP3.54
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-phenoxyphenyl)propanamide
CID 16881840
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16881898
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-pyridin-4-ylpropanamide
CID 16881879
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 16881891
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16881884
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylquinolin-4-yl)propanamide
CID 16883244
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylbutyl)propanamide
CID 16881762
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
CID 16882977
5-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-tert-butyl-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16881743
N-(5-chloro-2-methylphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882256
3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16882602
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethyl-N-(3-methylphenyl)propanamide
CID 16881802

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide?
The IUPAC name of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide (CID 16881880) is 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide.
What is the SMILES notation for 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide?
The canonical SMILES for 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide is Cc1cc(NC(=O)CCn2c(C)nc3c(cnn3C(C)(C)C)c2=O)c2ccccc2n1.
What is the InChIKey of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide?
The InChIKey is DYZZBZQYUUMKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14-12-19(16-8-6-7-9-18(16)25-14)27-20(30)10-11-28-15(2)26-21-17(22(28)31)13-24-29(21)23(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,27,30).
What are the key properties of 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide?
3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide has a molecular weight of 418.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-methylquinolin-4-yl)propanamide is sourced from PubChem (CID 16881880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).