(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C18H26N6O — CID 56743244

IUPAC(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cnc2ccnn12
InChIInChI=1S/C18H26N6O/c1-14-15(12-19-16-4-7-20-24(14)16)17(25)23-11-10-22(3)18(13-23)5-8-21(2)9-6-18/h4,7,12H,5-6,8-11,13H2,1-3H3
InChIKeyGKLRZWWHTUIQPA-UHFFFAOYSA-N
MW342.45 g/mol
LogP0.89
Rot. Bonds1

About (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 56743244) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID56743244
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cnc2ccnn12
InChIInChI=1S/C18H26N6O/c1-14-15(12-19-16-4-7-20-24(14)16)17(25)23-11-10-22(3)18(13-23)5-8-21(2)9-6-18/h4,7,12H,5-6,8-11,13H2,1-3H3
InChIKeyGKLRZWWHTUIQPA-UHFFFAOYSA-N
XLogP0.89
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 56743244) is (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1c(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cnc2ccnn12.
What is the InChIKey of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is GKLRZWWHTUIQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-15(12-19-16-4-7-20-24(14)16)17(25)23-11-10-22(3)18(13-23)5-8-21(2)9-6-18/h4,7,12H,5-6,8-11,13H2,1-3H3.
What are the key properties of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 342.45 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 56743244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).