4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

C22H26N6O3 — CID 74763433

IUPAC4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCC(C)n1ccc2cc(N3CCOc4ncnc(N)c4C3=O)cc(N3CCOCC3)c21
InChIInChI=1S/C22H26N6O3/c1-14(2)27-4-3-15-11-16(12-17(19(15)27)26-5-8-30-9-6-26)28-7-10-31-21-18(22(28)29)20(23)24-13-25-21/h3-4,11-14H,5-10H2,1-2H3,(H2,23,24,25)
InChIKeyAYFZEMJCCNOWIR-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.47
Rot. Bonds3

About 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (PubChem CID 74763433) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
PubChem CID74763433
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCC(C)n1ccc2cc(N3CCOc4ncnc(N)c4C3=O)cc(N3CCOCC3)c21
InChIInChI=1S/C22H26N6O3/c1-14(2)27-4-3-15-11-16(12-17(19(15)27)26-5-8-30-9-6-26)28-7-10-31-21-18(22(28)29)20(23)24-13-25-21/h3-4,11-14H,5-10H2,1-2H3,(H2,23,24,25)
InChIKeyAYFZEMJCCNOWIR-UHFFFAOYSA-N
XLogP2.47
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one with MolForge

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Launch Full Analysis

Related Compounds

6-(1-propan-2-ylindol-5-yl)-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-4-amine
CID 71062731
4-amino-6-(1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;ethane
CID 160997517
4-amino-6-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763508
4-amino-6-[1-(3,5-dichlorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763290
4-amino-6-[1-(2-hydroxy-2-methylpropyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763146
4-amino-6-(4-bromo-3-methylphenyl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 144792146
4-amino-6-[1-[2-(trifluoromethoxy)phenyl]indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 74763213
4-amino-6-[1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 71062780
4-amino-6-[1-[(4-fluorophenyl)methyl]indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 71062935
2-[3-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)-2-chlorophenyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 141384914
4-amino-6-[1-(5-methyl-1,3,4-oxadiazol-2-yl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-[1-(5-methyl-1,3,4-oxadiazol-2-yl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;methane;sulfane
CID 157451163
2-[4-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]cyclohex-3-en-1-yl]propanoic acid
CID 68582217

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The IUPAC name of 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (CID 74763433) is 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is CC(C)n1ccc2cc(N3CCOc4ncnc(N)c4C3=O)cc(N3CCOCC3)c21.
What is the InChIKey of 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The InChIKey is AYFZEMJCCNOWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14(2)27-4-3-15-11-16(12-17(19(15)27)26-5-8-30-9-6-26)28-7-10-31-21-18(22(28)29)20(23)24-13-25-21/h3-4,11-14H,5-10H2,1-2H3,(H2,23,24,25).
What are the key properties of 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one has a molecular weight of 422.49 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(7-morpholin-4-yl-1-propan-2-ylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is sourced from PubChem (CID 74763433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).