4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol

C18H19N5O3 — CID 137228905

IUPAC4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol
SMILESOC/C=C/c1nc(-c2cccc3[nH]ncc23)nc(N2CCOCC2)c1O
InChIInChI=1S/C18H19N5O3/c24-8-2-5-15-16(25)18(23-6-9-26-10-7-23)21-17(20-15)12-3-1-4-14-13(12)11-19-22-14/h1-5,11,24-25H,6-10H2,(H,19,22)/b5-2+
InChIKeyBNZZONNJYACOIN-GORDUTHDSA-N
MW353.38 g/mol
LogP1.57
Rot. Bonds4

About 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol

4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol (PubChem CID 137228905) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol.

Molecular Properties

Compound Name4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol
PubChem CID137228905
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol
SMILESOC/C=C/c1nc(-c2cccc3[nH]ncc23)nc(N2CCOCC2)c1O
InChIInChI=1S/C18H19N5O3/c24-8-2-5-15-16(25)18(23-6-9-26-10-7-23)21-17(20-15)12-3-1-4-14-13(12)11-19-22-14/h1-5,11,24-25H,6-10H2,(H,19,22)/b5-2+
InChIKeyBNZZONNJYACOIN-GORDUTHDSA-N
XLogP1.57
TPSA107.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 46204597
2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanol
CID 174682351
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
CID 71004484
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
CID 121300711
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
4-[6-(1,5-dihydropyrazol-2-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 130241331
4-[9-ethyl-2-(1H-indazol-4-yl)-8-pyridin-4-ylpurin-6-yl]morpholine
CID 168920804
(1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
CID 71156805
N'-hydroxy-N-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]hexanediamide
CID 54576037
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol?
The IUPAC name of 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol (CID 137228905) is 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol.
What is the SMILES notation for 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol?
The canonical SMILES for 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol is OC/C=C/c1nc(-c2cccc3[nH]ncc23)nc(N2CCOCC2)c1O.
What is the InChIKey of 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol?
The InChIKey is BNZZONNJYACOIN-GORDUTHDSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-8-2-5-15-16(25)18(23-6-9-26-10-7-23)21-17(20-15)12-3-1-4-14-13(12)11-19-22-14/h1-5,11,24-25H,6-10H2,(H,19,22)/b5-2+.
What are the key properties of 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol?
4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol has a molecular weight of 353.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol is sourced from PubChem (CID 137228905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).