2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C16H22N6O — CID 70778346

IUPAC2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nn(C)c2ncnc(N3CCC4(CCCN(C)C4=O)C3)c12
InChIInChI=1S/C16H22N6O/c1-11-12-13(21(3)19-11)17-10-18-14(12)22-8-6-16(9-22)5-4-7-20(2)15(16)23/h10H,4-9H2,1-3H3
InChIKeyTUNJTZKQDSGJQD-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.12
Rot. Bonds1

About 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 70778346) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID70778346
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nn(C)c2ncnc(N3CCC4(CCCN(C)C4=O)C3)c12
InChIInChI=1S/C16H22N6O/c1-11-12-13(21(3)19-11)17-10-18-14(12)22-8-6-16(9-22)5-4-7-20(2)15(16)23/h10H,4-9H2,1-3H3
InChIKeyTUNJTZKQDSGJQD-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 70778346) is 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is Cc1nn(C)c2ncnc(N3CCC4(CCCN(C)C4=O)C3)c12.
What is the InChIKey of 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is TUNJTZKQDSGJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-12-13(21(3)19-11)17-10-18-14(12)22-8-6-16(9-22)5-4-7-20(2)15(16)23/h10H,4-9H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 314.39 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 70778346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).