1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H23N7O — CID 137264506

IUPAC1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1cc(C2CCCN2c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cn1
InChIInChI=1S/C17H23N7O/c1-17(2,3)24-14-12(9-19-24)15(25)21-16(20-14)23-7-5-6-13(23)11-8-18-22(4)10-11/h8-10,13H,5-7H2,1-4H3,(H,20,21,25)
InChIKeyIFSGXNHAOQUBPM-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.95
Rot. Bonds2

About 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137264506) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137264506
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1cc(C2CCCN2c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cn1
InChIInChI=1S/C17H23N7O/c1-17(2,3)24-14-12(9-19-24)15(25)21-16(20-14)23-7-5-6-13(23)11-8-18-22(4)10-11/h8-10,13H,5-7H2,1-4H3,(H,20,21,25)
InChIKeyIFSGXNHAOQUBPM-UHFFFAOYSA-N
XLogP1.95
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137264506) is 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1cc(C2CCCN2c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cn1.
What is the InChIKey of 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IFSGXNHAOQUBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-17(2,3)24-14-12(9-19-24)15(25)21-16(20-14)23-7-5-6-13(23)11-8-18-22(4)10-11/h8-10,13H,5-7H2,1-4H3,(H,20,21,25).
What are the key properties of 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 341.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137264506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).