4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine

C21H27N5O3 — CID 123187255

IUPAC4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine
SMILESCOCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOC(C)(C)C4)ncn3)c2c1
InChIInChI=1S/C21H27N5O3/c1-14(11-27-4)29-15-5-6-17-16(9-15)20(25-24-17)18-10-19(23-13-22-18)26-7-8-28-21(2,3)12-26/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,24,25)
InChIKeyZLGRDRVSGVFUOQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.05
Rot. Bonds6

About 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine

4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine (PubChem CID 123187255) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine
PubChem CID123187255
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine
SMILESCOCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOC(C)(C)C4)ncn3)c2c1
InChIInChI=1S/C21H27N5O3/c1-14(11-27-4)29-15-5-6-17-16(9-15)20(25-24-17)18-10-19(23-13-22-18)26-7-8-28-21(2,3)12-26/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,24,25)
InChIKeyZLGRDRVSGVFUOQ-UHFFFAOYSA-N
XLogP3.05
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,6R)-4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 90400140
1-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 123220019
(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 90398682
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 78321838
5-(1-methylcyclopropyl)oxy-3-[6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
CID 165137321
[4-fluoro-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 90398509
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-1H-indazole
CID 90398715
4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123977170
ethane;3-[6-(3-methylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-indazole
CID 156867094
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol
CID 90398051

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine (CID 123187255) is 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine is COCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOC(C)(C)C4)ncn3)c2c1.
What is the InChIKey of 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine?
The InChIKey is ZLGRDRVSGVFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-14(11-27-4)29-15-5-6-17-16(9-15)20(25-24-17)18-10-19(23-13-22-18)26-7-8-28-21(2,3)12-26/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,24,25).
What are the key properties of 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine?
4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine has a molecular weight of 397.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(1-methoxypropan-2-yloxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2,2-dimethylmorpholine is sourced from PubChem (CID 123187255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).