4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

C18H18N6O2 — CID 74763145

IUPAC4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESNc1ncnc2c1C(=O)N(c1cnc3c(ccn3C3CCC3)c1)CCO2
InChIInChI=1S/C18H18N6O2/c19-15-14-17(22-10-21-15)26-7-6-24(18(14)25)13-8-11-4-5-23(12-2-1-3-12)16(11)20-9-13/h4-5,8-10,12H,1-3,6-7H2,(H2,19,21,22)
InChIKeyXVVSRQPQSKFKTJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.17
Rot. Bonds2

About 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one

4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (PubChem CID 74763145) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
PubChem CID74763145
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
SMILESNc1ncnc2c1C(=O)N(c1cnc3c(ccn3C3CCC3)c1)CCO2
InChIInChI=1S/C18H18N6O2/c19-15-14-17(22-10-21-15)26-7-6-24(18(14)25)13-8-11-4-5-23(12-2-1-3-12)16(11)20-9-13/h4-5,8-10,12H,1-3,6-7H2,(H2,19,21,22)
InChIKeyXVVSRQPQSKFKTJ-UHFFFAOYSA-N
XLogP2.17
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9738658, Example 2
CID 138752710
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
4-Amino-6-(1-(2-hydroxy-2-methylpropyl)-1H-indol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one
CID 74763146
US10174049, Example 11
CID 74763290
US10174049, Example 13
CID 74763292
US10174049, Example 14
CID 74763293
US10174049, Example 15
CID 74763294
US10174049, Example 18
CID 74763362
US10174049, Example 19
CID 74763363
Diacylglycerol acyltransferase inhibitor-1
CID 74763366
US10174049, Example 24
CID 74763433

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The IUPAC name of 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one (CID 74763145) is 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is Nc1ncnc2c1C(=O)N(c1cnc3c(ccn3C3CCC3)c1)CCO2.
What is the InChIKey of 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
The InChIKey is XVVSRQPQSKFKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-15-14-17(22-10-21-15)26-7-6-24(18(14)25)13-8-11-4-5-23(12-2-1-3-12)16(11)20-9-13/h4-5,8-10,12H,1-3,6-7H2,(H2,19,21,22).
What are the key properties of 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one?
4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one has a molecular weight of 350.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(1-cyclobutylpyrrolo[2,3-b]pyridin-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one is sourced from PubChem (CID 74763145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).