1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H23N7O — CID 138050416

IUPAC1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(N3CCC(c4cnc[nH]4)CC3)nc21
InChIInChI=1S/C17H23N7O/c1-17(2,3)24-14-12(8-20-24)15(25)22-16(21-14)23-6-4-11(5-7-23)13-9-18-10-19-13/h8-11H,4-7H2,1-3H3,(H,18,19)(H,21,22,25)
InChIKeyMLBUCPRILSTSIH-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.98
Rot. Bonds2

About 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138050416) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138050416
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(N3CCC(c4cnc[nH]4)CC3)nc21
InChIInChI=1S/C17H23N7O/c1-17(2,3)24-14-12(8-20-24)15(25)22-16(21-14)23-6-4-11(5-7-23)13-9-18-10-19-13/h8-11H,4-7H2,1-3H3,(H,18,19)(H,21,22,25)
InChIKeyMLBUCPRILSTSIH-UHFFFAOYSA-N
XLogP1.98
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-tert-butyl-6-[3-(fluoromethyl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 146108984
1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264543
1-tert-butyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275995
1-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263202
2-[4-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperazin-1-yl]acetamide
CID 137260904
1-tert-butyl-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260961
tert-butyl N-[1-(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidin-3-yl]carbamate
CID 137268196
1-tert-butyl-6-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264676
1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261672
1-tert-butyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260725
1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264506
1-tert-butyl-6-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261412

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 138050416) is 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(N3CCC(c4cnc[nH]4)CC3)nc21.
What is the InChIKey of 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MLBUCPRILSTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-17(2,3)24-14-12(8-20-24)15(25)22-16(21-14)23-6-4-11(5-7-23)13-9-18-10-19-13/h8-11H,4-7H2,1-3H3,(H,18,19)(H,21,22,25).
What are the key properties of 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 341.42 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[4-(1H-imidazol-5-yl)piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138050416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).