8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane

C21H27N7O2 — CID 177313437

IUPAC8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC1(C)COCCN1c1cc(N2C3CCC2COC3)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C21H27N7O2/c1-21(2)13-29-8-7-26(21)19-9-18(27-14-3-4-15(27)12-30-11-14)24-20-16(10-23-28(19)20)17-5-6-22-25-17/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,22,25)
InChIKeyJIKAQLVDISYFOW-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.10
Rot. Bonds3

About 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 177313437) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID177313437
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCC1(C)COCCN1c1cc(N2C3CCC2COC3)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C21H27N7O2/c1-21(2)13-29-8-7-26(21)19-9-18(27-14-3-4-15(27)12-30-11-14)24-20-16(10-23-28(19)20)17-5-6-22-25-17/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,22,25)
InChIKeyJIKAQLVDISYFOW-UHFFFAOYSA-N
XLogP2.10
TPSA83.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 177313437) is 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane is CC1(C)COCCN1c1cc(N2C3CCC2COC3)nc2c(-c3ccn[nH]3)cnn12.
What is the InChIKey of 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is JIKAQLVDISYFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-21(2)13-29-8-7-26(21)19-9-18(27-14-3-4-15(27)12-30-11-14)24-20-16(10-23-28(19)20)17-5-6-22-25-17/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,22,25).
What are the key properties of 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 409.49 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(3,3-dimethylmorpholin-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 177313437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).