4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine

C18H23N5O2 — CID 123586119

IUPAC4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine
SMILESCCOC1C=Cc2[nH]nc(-c3cc(N4CCOC(C)C4)ncn3)c2C1
InChIInChI=1S/C18H23N5O2/c1-3-24-13-4-5-15-14(8-13)18(22-21-15)16-9-17(20-11-19-16)23-6-7-25-12(2)10-23/h4-5,9,11-13H,3,6-8,10H2,1-2H3,(H,21,22)
InChIKeyISQDJCRUTKFNEY-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.07
Rot. Bonds4

About 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine

4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine (PubChem CID 123586119) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine
PubChem CID123586119
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine
SMILESCCOC1C=Cc2[nH]nc(-c3cc(N4CCOC(C)C4)ncn3)c2C1
InChIInChI=1S/C18H23N5O2/c1-3-24-13-4-5-15-14(8-13)18(22-21-15)16-9-17(20-11-19-16)23-6-7-25-12(2)10-23/h4-5,9,11-13H,3,6-8,10H2,1-2H3,(H,21,22)
InChIKeyISQDJCRUTKFNEY-UHFFFAOYSA-N
XLogP2.07
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[6-(5-methoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
CID 123855101
(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 90398682
2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
CID 123967588
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
(2R)-4-[6-(5-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 134822793
(2S)-4-[6-[5-(2-methoxyethoxy)-2,3-dihydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 130372388
(2R)-4-[6-[5-(3-ethyloxetan-3-yl)oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 131709814
(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 157362787
[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 123483257
(2S)-4-[6-[5-fluoro-6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 157387812

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine?
The IUPAC name of 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine (CID 123586119) is 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine?
The canonical SMILES for 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine is CCOC1C=Cc2[nH]nc(-c3cc(N4CCOC(C)C4)ncn3)c2C1.
What is the InChIKey of 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine?
The InChIKey is ISQDJCRUTKFNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-24-13-4-5-15-14(8-13)18(22-21-15)16-9-17(20-11-19-16)23-6-7-25-12(2)10-23/h4-5,9,11-13H,3,6-8,10H2,1-2H3,(H,21,22).
What are the key properties of 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine?
4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine has a molecular weight of 341.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-ethoxy-4,5-dihydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 123586119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).