2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol

C20H22N6O2 — CID 121300711

IUPAC2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nn2c1
InChIInChI=1S/C20H22N6O2/c1-20(2,27)13-10-17-19(25-6-8-28-9-7-25)22-18(24-26(17)12-13)14-4-3-5-16-15(14)11-21-23-16/h3-5,10-12,27H,6-9H2,1-2H3,(H,21,23)
InChIKeyQHLRXNMJUHZNQN-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.34
Rot. Bonds3

About 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol

2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol (PubChem CID 121300711) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
PubChem CID121300711
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nn2c1
InChIInChI=1S/C20H22N6O2/c1-20(2,27)13-10-17-19(25-6-8-28-9-7-25)22-18(24-26(17)12-13)14-4-3-5-16-15(14)11-21-23-16/h3-5,10-12,27H,6-9H2,1-2H3,(H,21,23)
InChIKeyQHLRXNMJUHZNQN-UHFFFAOYSA-N
XLogP2.34
TPSA91.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol
CID 137228905
(1R)-1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
CID 71156805
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
2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 53378156
N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide
CID 59593040
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
4-[5-(1H-indazol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 46204597
2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 24996702
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
CID 71004484
4-[6-(1H-indazol-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]morpholine
CID 66749609

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol?
The IUPAC name of 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol (CID 121300711) is 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol is CC(C)(O)c1cc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nn2c1.
What is the InChIKey of 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol?
The InChIKey is QHLRXNMJUHZNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-20(2,27)13-10-17-19(25-6-8-28-9-7-25)22-18(24-26(17)12-13)14-4-3-5-16-15(14)11-21-23-16/h3-5,10-12,27H,6-9H2,1-2H3,(H,21,23).
What are the key properties of 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol?
2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol has a molecular weight of 378.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol is sourced from PubChem (CID 121300711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).