N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide

C18H28N6O2 — CID 137263127

IUPACN-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1
InChIInChI=1S/C18H28N6O2/c1-11(2)15(25)20-12-7-6-8-23(10-12)17-21-14-13(16(26)22-17)9-19-24(14)18(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,20,25)(H,21,22,26)
InChIKeyAONVWILNSNAIHV-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.62
Rot. Bonds3

About N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide

N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 137263127) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide
PubChem CID137263127
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1
InChIInChI=1S/C18H28N6O2/c1-11(2)15(25)20-12-7-6-8-23(10-12)17-21-14-13(16(26)22-17)9-19-24(14)18(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,20,25)(H,21,22,26)
InChIKeyAONVWILNSNAIHV-UHFFFAOYSA-N
XLogP1.62
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pde9-IN-1
CID 137700754
1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 163183770
1-Tert-butyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone
CID 7118692
1-Tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one
CID 7118693
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-cyclohexylacetamide
CID 3245013
6-[(1R)-1-(azetidin-1-yl)ethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136236306
1-cyclopentyl-6-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155510637
1-cyclopentyl-6-[[(2R)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155517492
1-cyclopentyl-6-[[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155521088
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,N-dimethylpropanamide
CID 155523485

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide (CID 137263127) is N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCCN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)C1.
What is the InChIKey of N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is AONVWILNSNAIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-11(2)15(25)20-12-7-6-8-23(10-12)17-21-14-13(16(26)22-17)9-19-24(14)18(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,20,25)(H,21,22,26).
What are the key properties of N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide?
N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 360.46 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 137263127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).