(6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C16H22N6O2 — CID 164699612

IUPAC(6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1nc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H22N6O2/c1-10-19-13-11(8-18-21(13)2)14(20-10)22-7-4-12(23)16(9-22)5-3-6-17-15(16)24/h8,12,23H,3-7,9H2,1-2H3,(H,17,24)/t12-,16+/m0/s1
InChIKeyVNZGDNMESVGYMC-BLLLJJGKSA-N
MW330.39 g/mol
LogP0.14
Rot. Bonds1

About (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164699612) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164699612
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1nc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c2cnn(C)c2n1
InChIInChI=1S/C16H22N6O2/c1-10-19-13-11(8-18-21(13)2)14(20-10)22-7-4-12(23)16(9-22)5-3-6-17-15(16)24/h8,12,23H,3-7,9H2,1-2H3,(H,17,24)/t12-,16+/m0/s1
InChIKeyVNZGDNMESVGYMC-BLLLJJGKSA-N
XLogP0.14
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 164699612) is (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is Cc1nc(N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c2cnn(C)c2n1.
What is the InChIKey of (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is VNZGDNMESVGYMC-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-10-19-13-11(8-18-21(13)2)14(20-10)22-7-4-12(23)16(9-22)5-3-6-17-15(16)24/h8,12,23H,3-7,9H2,1-2H3,(H,17,24)/t12-,16+/m0/s1.
What are the key properties of (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 330.39 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-8-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164699612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).