4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen

C21H22N6O2 — CID 142499116

IUPAC4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen
SMILESCOc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1.[H][H]
InChIInChI=1S/C21H20N6O2.H2/c1-28-19-4-5-22-12-16(19)14-2-3-17-15(10-14)21(26-25-17)18-11-20(24-13-23-18)27-6-8-29-9-7-27;/h2-5,10-13H,6-9H2,1H3,(H,25,26);1H
InChIKeyNUPOUCFDEFXAHR-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.17
Rot. Bonds4

About 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen

4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen (PubChem CID 142499116) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen.

Molecular Properties

Compound Name4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen
PubChem CID142499116
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen
SMILESCOc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1.[H][H]
InChIInChI=1S/C21H20N6O2.H2/c1-28-19-4-5-22-12-16(19)14-2-3-17-15(10-14)21(26-25-17)18-11-20(24-13-23-18)27-6-8-29-9-7-27;/h2-5,10-13H,6-9H2,1H3,(H,25,26);1H
InChIKeyNUPOUCFDEFXAHR-UHFFFAOYSA-N
XLogP3.17
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 130414249
4-[4-[5-(2-fluoro-4-methoxy-3-pyridinyl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
CID 90400745
[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol
CID 90398051
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-1H-indazole
CID 90398715
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
(2S)-4-[6-[5-(2-methoxyethoxy)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methylmorpholine
CID 90398682
2-[6-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172662683
4-[6-(5-methoxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-2-one
CID 90398510
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
CID 86710928

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen?
The IUPAC name of 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen (CID 142499116) is 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen.
What is the SMILES notation for 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen?
The canonical SMILES for 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen is COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1.[H][H].
What is the InChIKey of 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen?
The InChIKey is NUPOUCFDEFXAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2.H2/c1-28-19-4-5-22-12-16(19)14-2-3-17-15(10-14)21(26-25-17)18-11-20(24-13-23-18)27-6-8-29-9-7-27;/h2-5,10-13H,6-9H2,1H3,(H,25,26);1H.
What are the key properties of 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen?
4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen has a molecular weight of 390.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(4-methoxy-3-pyridinyl)-1H-indazol-3-yl]pyrimidin-4-yl]morpholine;molecular hydrogen is sourced from PubChem (CID 142499116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).