(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine

C18H22N4O2 — CID 51596288

IUPAC(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine
SMILESCc1nc2cc(-c3ccco3)nn2c(N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C18H22N4O2/c1-11-9-21(10-12(2)24-11)18-13(3)14(4)19-17-8-15(20-22(17)18)16-6-5-7-23-16/h5-8,11-12H,9-10H2,1-4H3/t11-,12+
InChIKeyAQZOKLGIXSZCJS-TXEJJXNPSA-N
MW326.40 g/mol
LogP3.22
Rot. Bonds2

About (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine

(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine (PubChem CID 51596288) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine
PubChem CID51596288
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine
SMILESCc1nc2cc(-c3ccco3)nn2c(N2C[C@@H](C)O[C@@H](C)C2)c1C
InChIInChI=1S/C18H22N4O2/c1-11-9-21(10-12(2)24-11)18-13(3)14(4)19-17-8-15(20-22(17)18)16-6-5-7-23-16/h5-8,11-12H,9-10H2,1-4H3/t11-,12+
InChIKeyAQZOKLGIXSZCJS-TXEJJXNPSA-N
XLogP3.22
TPSA55.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441109
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441107
7-(furan-2-yl)-2,4-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13424971
(2,6-dimethylmorpholin-4-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 5233267
5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46953383
2-[2-(furan-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 82269761
4-(furan-2-yl)-2,6-dimethylmorpholine
CID 175415058
2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82270027
7-(furan-2-yl)-2-piperazin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 69432521
2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 46960471
7-(furan-2-yl)-2-(methoxymethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170670

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine (CID 51596288) is (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine is Cc1nc2cc(-c3ccco3)nn2c(N2C[C@@H](C)O[C@@H](C)C2)c1C.
What is the InChIKey of (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine?
The InChIKey is AQZOKLGIXSZCJS-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-9-21(10-12(2)24-11)18-13(3)14(4)19-17-8-15(20-22(17)18)16-6-5-7-23-16/h5-8,11-12H,9-10H2,1-4H3/t11-,12+.
What are the key properties of (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine?
(2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine has a molecular weight of 326.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[2-(furan-2-yl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 51596288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).