tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate

C16H25N5O3 — CID 166058238

IUPACtert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate
SMILESCn1cc2c(n1)CN(C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2
InChIInChI=1S/C16H25N5O3/c1-16(2,3)24-15(23)20-7-5-11(6-8-20)21-10-13-12(17-14(21)22)9-19(4)18-13/h9,11H,5-8,10H2,1-4H3,(H,17,22)
InChIKeyXLPGAVHWNUSRPX-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.17
Rot. Bonds1

About tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate (PubChem CID 166058238) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate
PubChem CID166058238
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Nametert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate
SMILESCn1cc2c(n1)CN(C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2
InChIInChI=1S/C16H25N5O3/c1-16(2,3)24-15(23)20-7-5-11(6-8-20)21-10-13-12(17-14(21)22)9-19(4)18-13/h9,11H,5-8,10H2,1-4H3,(H,17,22)
InChIKeyXLPGAVHWNUSRPX-UHFFFAOYSA-N
XLogP2.17
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(2-methyl-6-oxo-4,7-dihydropyrazolo[3,4-d]pyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 166058415
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate
CID 155194633
tert-butyl 4-(7-oxo-5H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 66853102
tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
CID 18969335
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-(2-methyl-5-oxo-7,8-dihydro-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
CID 151172826

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate (CID 166058238) is tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate is Cn1cc2c(n1)CN(C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N2.
What is the InChIKey of tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate?
The InChIKey is XLPGAVHWNUSRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-16(2,3)24-15(23)20-7-5-11(6-8-20)21-10-13-12(17-14(21)22)9-19(4)18-13/h9,11H,5-8,10H2,1-4H3,(H,17,22).
What are the key properties of tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate has a molecular weight of 335.41 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methyl-5-oxo-4,7-dihydropyrazolo[4,3-d]pyrimidin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 166058238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).