5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H22N6O2 — CID 58364775

IUPAC5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)cc(C4CCCCC45OCCO5)nc23)cn1
InChIInChI=1S/C18H22N6O2/c1-23-11-12(9-20-23)13-10-21-24-16(19)8-15(22-17(13)24)14-4-2-3-5-18(14)25-6-7-26-18/h8-11,14H,2-7,19H2,1H3
InChIKeyZXWOIHMHUHDRNH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.11
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58364775) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58364775
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)cc(C4CCCCC45OCCO5)nc23)cn1
InChIInChI=1S/C18H22N6O2/c1-23-11-12(9-20-23)13-10-21-24-16(19)8-15(22-17(13)24)14-4-2-3-5-18(14)25-6-7-26-18/h8-11,14H,2-7,19H2,1H3
InChIKeyZXWOIHMHUHDRNH-UHFFFAOYSA-N
XLogP2.11
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 58364775) is 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)cc(C4CCCCC45OCCO5)nc23)cn1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZXWOIHMHUHDRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23-11-12(9-20-23)13-10-21-24-16(19)8-15(22-17(13)24)14-4-2-3-5-18(14)25-6-7-26-18/h8-11,14H,2-7,19H2,1H3.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 354.41 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58364775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).