4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

C21H23N5O2 — CID 74763366

IUPAC4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCCCn1ccc2cc(N3CCOc4ncnc(N)c4C3=O)cc(C3CC3)c21
InChIInChI=1S/C21H23N5O2/c1-2-6-25-7-5-14-10-15(11-16(18(14)25)13-3-4-13)26-8-9-28-20-17(21(26)27)19(22)23-12-24-20/h5,7,10-13H,2-4,6,8-9H2,1H3,(H2,22,23,24)
InChIKeyZRAUYWHLGWICJK-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.34
Rot. Bonds4

About 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (PubChem CID 74763366) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
PubChem CID74763366
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESCCCn1ccc2cc(N3CCOc4ncnc(N)c4C3=O)cc(C3CC3)c21
InChIInChI=1S/C21H23N5O2/c1-2-6-25-7-5-14-10-15(11-16(18(14)25)13-3-4-13)26-8-9-28-20-17(21(26)27)19(22)23-12-24-20/h5,7,10-13H,2-4,6,8-9H2,1H3,(H2,22,23,24)
InChIKeyZRAUYWHLGWICJK-UHFFFAOYSA-N
XLogP3.34
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one with MolForge

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Related Compounds

4-Amino-6-(1-(3-(trifluoromethoxy)phenyl)-1H-indol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one
CID 74763144
US10174049, Example 5
CID 74763213
US10174049, Example 6
CID 74763214
US10174049, Example 7
CID 74763215
4-Amino-6-[1-[2-(2,2,2-trifluoroacetyl)phenyl]indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 139208028
4-Amino-6-[1-[2-(difluoromethoxy)phenyl]indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 139208030
US10385066, Example 17
CID 71062905
US10174049, Example 17
CID 74221594
US10174049, Example 2
CID 134411634
4-Amino-6-[1-(6-methyl-3-pyridinyl)indol-5-yl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 71062687
US10174049, Example 1
CID 74763143
US10174049, Example 3
CID 74763145

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The IUPAC name of 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (CID 74763366) is 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is CCCn1ccc2cc(N3CCOc4ncnc(N)c4C3=O)cc(C3CC3)c21.
What is the InChIKey of 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The InChIKey is ZRAUYWHLGWICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-6-25-7-5-14-10-15(11-16(18(14)25)13-3-4-13)26-8-9-28-20-17(21(26)27)19(22)23-12-24-20/h5,7,10-13H,2-4,6,8-9H2,1H3,(H2,22,23,24).
What are the key properties of 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one has a molecular weight of 377.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(7-cyclopropyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is sourced from PubChem (CID 74763366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).