[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol

C19H21N5O3 — CID 90398051

IUPAC[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol
SMILESOCC1(Oc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1
InChIInChI=1S/C19H21N5O3/c25-11-19(3-4-19)27-13-1-2-15-14(9-13)18(23-22-15)16-10-17(21-12-20-16)24-5-7-26-8-6-24/h1-2,9-10,12,25H,3-8,11H2,(H,22,23)
InChIKeyYFWDQYINXFWQTP-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.76
Rot. Bonds5

About [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol

[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol (PubChem CID 90398051) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol
PubChem CID90398051
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol
SMILESOCC1(Oc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1
InChIInChI=1S/C19H21N5O3/c25-11-19(3-4-19)27-13-1-2-15-14(9-13)18(23-22-15)16-10-17(21-12-20-16)24-5-7-26-8-6-24/h1-2,9-10,12,25H,3-8,11H2,(H,22,23)
InChIKeyYFWDQYINXFWQTP-UHFFFAOYSA-N
XLogP1.76
TPSA96.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol with MolForge

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Related Compounds

[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 123483257
[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-isoindol-5-yl]oxy]cyclopropyl]methanol
CID 158752701
4-[6-[5-[(1-methylcyclopropyl)methyl]-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 130414249
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
[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
2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
CID 90398386
2-methyl-8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 78324899
5-(1-methylcyclopropyl)oxy-3-[6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
CID 165137321
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 78324278
(3S,4S)-4-methoxy-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 90398251
3-[6-(3-iodopyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138096

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol?
The IUPAC name of [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol (CID 90398051) is [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol.
What is the SMILES notation for [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol?
The canonical SMILES for [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol is OCC1(Oc2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)CC1.
What is the InChIKey of [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol?
The InChIKey is YFWDQYINXFWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-11-19(3-4-19)27-13-1-2-15-14(9-13)18(23-22-15)16-10-17(21-12-20-16)24-5-7-26-8-6-24/h1-2,9-10,12,25H,3-8,11H2,(H,22,23).
What are the key properties of [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol?
[1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol has a molecular weight of 367.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-5-yl]oxy]cyclopropyl]methanol is sourced from PubChem (CID 90398051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).